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Benzenetridecanoic acid, 3-chloro-4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester
SpectraBase Compound ID B5U1brOBcsy
InChI InChI=1S/C42H67ClO4/c1-5-7-9-10-11-17-20-24-28-37-40(46-4)33-36(27-22-8-6-2)34-41(37)47-42(44)29-25-21-18-15-13-12-14-16-19-23-26-35-30-31-39(45-3)38(43)32-35/h30-34H,5-29H2,1-4H3
InChIKey UYPQEMCIQCHGSY-UHFFFAOYSA-N
Mol Weight 671.4 g/mol
Molecular Formula C42H67ClO4
Exact Mass 670.472788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95AF94rROX3
Name Benzenetridecanoic acid, 3-chloro-4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester
Alternate Name(s) 2-Decyl-3-methoxy-5-pentylphenyl 13-(3-chloro-4-methoxyphenyl)tridecanoate (2-decyl-3-methoxy-5-pentyl-phenyl) 13-(3-chloranyl-4-methoxy-phenyl)tridecanoate 13-(3-chloro-4-methoxy-phenyl)tridecanoic acid (5-amyl-2-decyl-3-methoxy-phenyl) ester 13-(3-chloro-4-methoxyphenyl)tridecanoic acid (2-decyl-3-methoxy-5-pentylphenyl) ester (2-decyl-3-methoxy-5-pentylphenyl) 13-(3-chloro-4-methoxyphenyl)tridecanoate
CAS Registry Number 71142-38-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H67ClO4
InChI InChI=1S/C42H67ClO4/c1-5-7-9-10-11-17-20-24-28-37-40(46-4)33-36(27-22-8-6-2)34-41(37)47-42(44)29-25-21-18-15-13-12-14-16-19-23-26-35-30-31-39(45-3)38(43)32-35/h30-34H,5-29H2,1-4H3
InChIKey UYPQEMCIQCHGSY-UHFFFAOYSA-N
Molecular Weight 671.447 g/mol
SMILES CCCCCCCCCCc1c(cc(cc1OC(CCCCCCCCCCCCc1ccc(c(c1)Cl)OC)=O)CCCCC)OC
SPLASH splash10-053r-0139001000-2137acf7b8795104f8c8
Source of Spectrum K-112-2007-0
Wiley ID 1413923