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Benzeneheptadecanoic acid, 3-chloro-4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester
SpectraBase Compound ID Aq7ukrZin63
InChI InChI=1S/C46H75ClO4/c1-5-7-9-10-11-21-24-28-32-41-44(50-4)37-40(31-26-8-6-2)38-45(41)51-46(48)33-29-25-22-19-17-15-13-12-14-16-18-20-23-27-30-39-34-35-43(49-3)42(47)36-39/h34-38H,5-33H2,1-4H3
InChIKey NORJJZCWAXKIOH-UHFFFAOYSA-N
Mol Weight 727.6 g/mol
Molecular Formula C46H75ClO4
Exact Mass 726.535389 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KlVfAtzfwNu
Name Benzeneheptadecanoic acid, 3-chloro-4-methoxy-, 2-decyl-3-methoxy-5-pentylphenyl ester
CAS Registry Number 69505-99-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H75ClO4
InChI InChI=1S/C46H75ClO4/c1-5-7-9-10-11-21-24-28-32-41-44(50-4)37-40(31-26-8-6-2)38-45(41)51-46(48)33-29-25-22-19-17-15-13-12-14-16-18-20-23-27-30-39-34-35-43(49-3)42(47)36-39/h34-38H,5-33H2,1-4H3
InChIKey NORJJZCWAXKIOH-UHFFFAOYSA-N
Molecular Weight 727.555 g/mol
SMILES CCCCCCCCCCc1c(cc(cc1OC(CCCCCCCCCCCCCCCCc1ccc(c(c1)Cl)OC)=O)CCCCC)OC
SPLASH splash10-001i-0229000100-f2d63ebe8e2e0a1b3a81
Source of Spectrum K-112-205-0
Synonyms 2-Decyl-3-methoxy-5-pentylphenyl 17-(3-chloro-4-methoxyphenyl)heptadecanoate (2-decyl-3-methoxy-5-pentyl-phenyl) 17-(3-chloranyl-4-methoxy-phenyl)heptadecanoate 17-(3-chloro-4-methoxy-phenyl)heptadecanoic acid (5-amyl-2-decyl-3-methoxy-phenyl) ester 17-(3-chloro-4-methoxyphenyl)heptadecanoic acid (2-decyl-3-methoxy-5-pentylphenyl) ester (2-decyl-3-methoxy-5-pentylphenyl) 17-(3-chloro-4-methoxyphenyl)heptadecanoate
Wiley ID 1415821