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Benzenepentadecanoic acid, 3-chloro-4-methoxy-, 3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl ester
SpectraBase Compound ID 8Fei3T7zw12
InChI InChI=1S/C46H75ClO4/c1-37(2)26-21-17-15-16-19-23-30-41-44(50-6)35-40(29-25-27-38(3)4)36-45(41)51-46(48)31-24-20-14-12-10-8-7-9-11-13-18-22-28-39-32-33-43(49-5)42(47)34-39/h32-38H,7-31H2,1-6H3
InChIKey SJVZUARGKKEGIB-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 609SyX1tbqw
Name Benzenepentadecanoic acid, 3-chloro-4-methoxy-, 3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl ester
CAS Registry Number 63953-40-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H75ClO4
InChI InChI=1S/C46H75ClO4/c1-37(2)26-21-17-15-16-19-23-30-41-44(50-6)35-40(29-25-27-38(3)4)36-45(41)51-46(48)31-24-20-14-12-10-8-7-9-11-13-18-22-28-39-32-33-43(49-5)42(47)34-39/h32-38H,7-31H2,1-6H3
InChIKey SJVZUARGKKEGIB-UHFFFAOYSA-N
Molecular Weight 727.555 g/mol
SMILES CC(C)CCCCCCCCc1c(cc(cc1OC(CCCCCCCCCCCCCCc1ccc(c(c1)Cl)OC)=O)CCCC(C)C)OC
SPLASH splash10-03di-0149000000-a0612f773615ee9a55d7
Source of Spectrum K-112-2009-0
Synonyms 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl 15-(3-chloro-4-methoxyphenyl)pentadecanoate 15-(3-chloro-4-methoxyphenyl)pentadecanoic acid [3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl] ester [3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl] 15-(3-chloro-4-methoxyphenyl)pentadecanoate [5-isohexyl-3-methoxy-2-(9-methyldecyl)phenyl] 15-(3-chloro-4-methoxy-phenyl)pentadecanoate [3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl] 15-(3-chloranyl-4-methoxy-phenyl)pentadecanoate
Wiley ID 1415822