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Benzenetridecanoic acid, 4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester
SpectraBase Compound ID 8zs1IB3jDkF
InChI InChI=1S/C42H68O4/c1-5-7-9-10-11-17-20-24-28-39-40(45-4)34-37(27-22-8-6-2)35-41(39)46-42(43)29-25-21-18-15-13-12-14-16-19-23-26-36-30-32-38(44-3)33-31-36/h30-35H,5-29H2,1-4H3
InChIKey HTZFCUVESFDUKL-UHFFFAOYSA-N
Mol Weight 637.0 g/mol
Molecular Formula C42H68O4
Exact Mass 636.511761 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BlaK4BbwANg
Name Benzenetridecanoic acid, 4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester
Alternate Name(s) 2-Decyl-3-methoxy-5-pentylphenyl 13-(4-methoxyphenyl)tridecanoate 13-(4-methoxyphenyl)tridecanoic acid (2-decyl-3-methoxy-5-pentylphenyl) ester 13-(4-methoxyphenyl)tridecanoic acid (5-amyl-2-decyl-3-methoxy-phenyl) ester (2-decyl-3-methoxy-5-pentylphenyl) 13-(4-methoxyphenyl)tridecanoate
CAS Registry Number 71142-40-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H68O4
InChI InChI=1S/C42H68O4/c1-5-7-9-10-11-17-20-24-28-39-40(45-4)34-37(27-22-8-6-2)35-41(39)46-42(43)29-25-21-18-15-13-12-14-16-19-23-26-36-30-32-38(44-3)33-31-36/h30-35H,5-29H2,1-4H3
InChIKey HTZFCUVESFDUKL-UHFFFAOYSA-N
Molecular Weight 637.002 g/mol
SMILES CCCCCCCCCCc1c(cc(cc1OC(CCCCCCCCCCCCc1ccc(cc1)OC)=O)CCCCC)OC
SPLASH splash10-001i-0329001000-796bb7fa67f455171476
Source of Spectrum K-112-2338-0
Wiley ID 1412422