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Benzenepentadecanoic acid, 3-chloro-4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester
SpectraBase Compound ID HZErm5tqbcz
InChI InChI=1S/C44H71ClO4/c1-5-7-9-10-11-19-22-26-30-39-42(48-4)35-38(29-24-8-6-2)36-43(39)49-44(46)31-27-23-20-17-15-13-12-14-16-18-21-25-28-37-32-33-41(47-3)40(45)34-37/h32-36H,5-31H2,1-4H3
InChIKey JDWJTCRKJREVDF-UHFFFAOYSA-N
Mol Weight 699.5 g/mol
Molecular Formula C44H71ClO4
Exact Mass 698.504088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5MtQEsegto
Name Benzenepentadecanoic acid, 3-chloro-4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester
CAS Registry Number 71142-42-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H71ClO4
InChI InChI=1S/C44H71ClO4/c1-5-7-9-10-11-19-22-26-30-39-42(48-4)35-38(29-24-8-6-2)36-43(39)49-44(46)31-27-23-20-17-15-13-12-14-16-18-21-25-28-37-32-33-41(47-3)40(45)34-37/h32-36H,5-31H2,1-4H3
InChIKey JDWJTCRKJREVDF-UHFFFAOYSA-N
Molecular Weight 699.501 g/mol
SMILES CCCCCCCCCCc1c(cc(cc1OC(CCCCCCCCCCCCCCc1ccc(c(c1)Cl)OC)=O)CCCCC)OC
SPLASH splash10-053r-0139000000-dcf452a87d15b7c624b2
Source of Spectrum K-112-2009-0
Synonyms 2-Decyl-3-methoxy-5-pentylphenyl 15-(3-chloro-4-methoxyphenyl)pentadecanoate (2-decyl-3-methoxy-5-pentyl-phenyl) 15-(3-chloranyl-4-methoxy-phenyl)pentadecanoate 15-(3-chloro-4-methoxy-phenyl)pentadecanoic acid (5-amyl-2-decyl-3-methoxy-phenyl) ester 15-(3-chloro-4-methoxyphenyl)pentadecanoic acid (2-decyl-3-methoxy-5-pentylphenyl) ester (2-decyl-3-methoxy-5-pentylphenyl) 15-(3-chloro-4-methoxyphenyl)pentadecanoate
Wiley ID 1415013