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Benzeneheptadecanoic acid, 3-chloro-4-methoxy-, 3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl ester
SpectraBase Compound ID 9EmriUfDftv
InChI InChI=1S/C48H79ClO4/c1-39(2)28-23-19-17-18-21-25-32-43-46(52-6)37-42(31-27-29-40(3)4)38-47(43)53-48(50)33-26-22-16-14-12-10-8-7-9-11-13-15-20-24-30-41-34-35-45(51-5)44(49)36-41/h34-40H,7-33H2,1-6H3
InChIKey IXZVCNZMEBNRSM-UHFFFAOYSA-N
Mol Weight 755.6 g/mol
Molecular Formula C48H79ClO4
Exact Mass 754.566689 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DUApcVXiQLz
Name Benzeneheptadecanoic acid, 3-chloro-4-methoxy-, 3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl ester
CAS Registry Number 69506-02-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H79ClO4
InChI InChI=1S/C48H79ClO4/c1-39(2)28-23-19-17-18-21-25-32-43-46(52-6)37-42(31-27-29-40(3)4)38-47(43)53-48(50)33-26-22-16-14-12-10-8-7-9-11-13-15-20-24-30-41-34-35-45(51-5)44(49)36-41/h34-40H,7-33H2,1-6H3
InChIKey IXZVCNZMEBNRSM-UHFFFAOYSA-N
Molecular Weight 755.609 g/mol
SMILES CC(C)CCCCCCCCc1c(cc(cc1OC(CCCCCCCCCCCCCCCCc1ccc(c(c1)Cl)OC)=O)CCCC(C)C)OC
SPLASH splash10-03k9-0279000100-b6961fe507ac7f8cec3b
Source of Spectrum K-112-206-0
Synonyms 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl 17-(3-chloro-4-methoxyphenyl)heptadecanoate 17-(3-chloro-4-methoxyphenyl)heptadecanoic acid [3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl] ester [3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl] 17-(3-chloro-4-methoxyphenyl)heptadecanoate [5-isohexyl-3-methoxy-2-(9-methyldecyl)phenyl] 17-(3-chloro-4-methoxy-phenyl)heptadecanoate [3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl] 17-(3-chloranyl-4-methoxy-phenyl)heptadecanoate
Wiley ID 1416414