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Benzeneheptadecanoic acid, 4-methoxy-, 3-methoxy-2-(9-methyldecyl)-5-pentylphenyl ester
SpectraBase Compound ID FbE2CVDNqxr
InChI InChI=1S/C47H78O4/c1-6-7-24-31-42-38-45(50-5)44(32-27-22-19-18-20-25-29-40(2)3)46(39-42)51-47(48)33-28-23-17-15-13-11-9-8-10-12-14-16-21-26-30-41-34-36-43(49-4)37-35-41/h34-40H,6-33H2,1-5H3
InChIKey YCPRPZHYSCHATO-UHFFFAOYSA-N
Mol Weight 707.1 g/mol
Molecular Formula C47H78O4
Exact Mass 706.590011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2tTsEdbFHn
Name Benzeneheptadecanoic acid, 4-methoxy-, 3-methoxy-2-(9-methyldecyl)-5-pentylphenyl ester
CAS Registry Number 69506-04-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C47H78O4
InChI InChI=1S/C47H78O4/c1-6-7-24-31-42-38-45(50-5)44(32-27-22-19-18-20-25-29-40(2)3)46(39-42)51-47(48)33-28-23-17-15-13-11-9-8-10-12-14-16-21-26-30-41-34-36-43(49-4)37-35-41/h34-40H,6-33H2,1-5H3
InChIKey YCPRPZHYSCHATO-UHFFFAOYSA-N
Molecular Weight 707.137 g/mol
SMILES c1(c(c(OC)cc(c1)CCCCC)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCc1ccc(cc1)OC
SPLASH splash10-0592-0296000000-659a0ff35a73ac71ecac
Source of Spectrum K-112-206-0
Synonyms 3-Methoxy-2-(9-methyldecyl)-5-pentylphenyl 17-(4-methoxyphenyl)heptadecanoate Mixture of 2-decyl-5-(4-methylpentyl)- and 2-(9-methyldecyl)-5-pentyl-3-methoxyphenyl esters of 17-(4-methoxyphenyl)-heptadecancarboxylic acid
Wiley ID 1415237