Methyl caprylate http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=b3ad4f32-c48b-4fcd-9a7c-00ce44ae6e85 29 28 0 0 0 0 0 0 0999 V2000 2.8660 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 M END > 8091 > 1 > 99.7 > 2 > 0 > 7 > AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACAgAICCAAABAAIAACQCAAAAAAAAAAAAAEAAAAAABIAAAAAAAAEAAAAAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > methyl octanoate > octanoic acid methyl ester > methyl octanoate > methyl octanoate > caprylic acid methyl ester > InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3 > JGHZJRVDZXSNKQ-UHFFFAOYSA-N > 3.6 > 158.13068 > C9H18O2 > 158.23802 > CCCCCCCC(=O)OC > CCCCCCCC(=O)OC > 26.3 > 158.13068 > 0 > 11 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 1 3