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Benzoic acid, 2-(12-heptadecenyl)-6-methoxy-, methyl ester
SpectraBase Compound ID Dr1jLK5QQtZ
InChI InChI=1S/C26H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22-24(28-2)25(23)26(27)29-3/h7-8,19,21-22H,4-6,9-18,20H2,1-3H3/b8-7+
InChIKey HYCMJIMJXSOFPH-BQYQJAHWSA-N
Mol Weight 402.6 g/mol
Molecular Formula C26H42O3
Exact Mass 402.313395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E9OfclXLgy2
Name Benzoic acid, 2-(12-heptadecenyl)-6-methoxy-, methyl ester
Alternate Name(s) Methyl 2-[(12E)-12-heptadecenyl]-6-methoxybenzoate 2-[(E)-heptadec-12-enyl]-6-methoxy-benzoic acid methyl ester Methyl 2-[(E)-heptadec-12-enyl]-6-methoxy-benzoate 2-[(E)-heptadec-12-enyl]-6-methoxybenzoic acid methyl ester
CAS Registry Number 56554-65-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42O3
InChI InChI=1S/C26H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22-24(28-2)25(23)26(27)29-3/h7-8,19,21-22H,4-6,9-18,20H2,1-3H3/b8-7+
InChIKey HYCMJIMJXSOFPH-BQYQJAHWSA-N
Molecular Weight 402.619 g/mol
SMILES CCCC\C=C\CCCCCCCCCCCc1c(C(=O)OC)c(OC)ccc1
SPLASH splash10-08fu-6911000000-1d2fa40bb16f426216d8
Source of Spectrum EP-4910-0-0
Wiley ID 57371