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Methyl 4-(chloromethyl)-5-nonadecyl-2-thiophenecarboxylate
SpectraBase Compound ID 92hl3blGbJ6
InChI InChI=1S/C26H45ClO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-23(22-27)21-25(30-24)26(28)29-2/h21H,3-20,22H2,1-2H3
InChIKey VYZQCIZUVXRSLD-UHFFFAOYSA-N
Mol Weight 457.2 g/mol
Molecular Formula C26H45ClO2S
Exact Mass 456.28288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5e4YwYmNFD8
Name Methyl 4-(chloromethyl)-5-nonadecyl-2-thiophenecarboxylate
Alternate Name(s) 2-Thiophenecarboxylic acid, 4-(chloromethyl)-5-nonadecyl-, methyl ester 4-(chloromethyl)-5-nonadecyl-2-thiophenecarboxylic acid methyl ester 4-(chloromethyl)-5-nonadecyl-thiophene-2-carboxylic acid methyl ester Methyl 4-(chloromethyl)-5-nonadecyl-thiophene-2-carboxylate
CAS Registry Number 59782-47-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H45ClO2S
InChI InChI=1S/C26H45ClO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-23(22-27)21-25(30-24)26(28)29-2/h21H,3-20,22H2,1-2H3
InChIKey VYZQCIZUVXRSLD-UHFFFAOYSA-N
Molecular Weight 457.157 g/mol
SMILES CCCCCCCCCCCCCCCCCCCc1c(cc(C(=O)OC)s1)CCl
SPLASH splash10-0ldi-6940400000-5a2561f2ce428e1cce14
Source of Spectrum W5-0-0-0
Wiley ID 1389347