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Benzeneheptadecanoic acid, 3-chloro-4-methoxy-, 3-methoxy-2-(9-methyldecyl)-5-pentylphenyl ester
SpectraBase Compound ID 5Hybkk7wp3J
InChI InChI=1S/C47H77ClO4/c1-6-7-24-31-41-37-45(51-5)42(32-27-22-19-18-20-25-29-39(2)3)46(38-41)52-47(49)33-28-23-17-15-13-11-9-8-10-12-14-16-21-26-30-40-34-35-44(50-4)43(48)36-40/h34-39H,6-33H2,1-5H3
InChIKey YXKCUUPSZODVJE-UHFFFAOYSA-N
Mol Weight 741.6 g/mol
Molecular Formula C47H77ClO4
Exact Mass 740.551039 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LmXBmCVv4xp
Name Benzeneheptadecanoic acid, 3-chloro-4-methoxy-, 3-methoxy-2-(9-methyldecyl)-5-pentylphenyl ester
CAS Registry Number 69506-00-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C47H77ClO4
InChI InChI=1S/C47H77ClO4/c1-6-7-24-31-41-37-45(51-5)42(32-27-22-19-18-20-25-29-39(2)3)46(38-41)52-47(49)33-28-23-17-15-13-11-9-8-10-12-14-16-21-26-30-40-34-35-44(50-4)43(48)36-40/h34-39H,6-33H2,1-5H3
InChIKey YXKCUUPSZODVJE-UHFFFAOYSA-N
Molecular Weight 741.582 g/mol
SMILES c1(c(c(OC)cc(c1)CCCCC)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCc1cc(Cl)c(cc1)OC
SPLASH splash10-0002-0139000100-dc72f3f76e543b2c0484
Source of Spectrum K-112-205-0
Synonyms 3-Methoxy-2-(9-methyldecyl)-5-pentylphenyl 17-(3-chloro-4-methoxyphenyl)heptadecanoate Mixture of 2-isoundecyl-5-pentyl- and 2-decyl-5-isohexyl-3-meo-phenyl17-(3-cl-4-meo-phenyl)heptadecancarboxylates
Wiley ID 1416114