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Methyl 4-(chloromethyl)-5-heptadecyl-2-thiophenecarboxylate
SpectraBase Compound ID CVAIujkZOzU
InChI InChI=1S/C24H41ClO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-21(20-25)19-23(28-22)24(26)27-2/h19H,3-18,20H2,1-2H3
InChIKey SKXMQZRQAUTEBY-UHFFFAOYSA-N
Mol Weight 429.1 g/mol
Molecular Formula C24H41ClO2S
Exact Mass 428.251579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ijxQBMjBXO
Name Methyl 4-(chloromethyl)-5-heptadecyl-2-thiophenecarboxylate
CAS Registry Number 59782-46-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H41ClO2S
InChI InChI=1S/C24H41ClO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-21(20-25)19-23(28-22)24(26)27-2/h19H,3-18,20H2,1-2H3
InChIKey SKXMQZRQAUTEBY-UHFFFAOYSA-N
Molecular Weight 429.103 g/mol
SMILES CCCCCCCCCCCCCCCCCc1c(cc(C(=O)OC)s1)CCl
SPLASH splash10-0gbc-4952200000-d734989e7ad37b1b79c7
Source of Spectrum W5-0-0-0
Synonyms 2-Thiophenecarboxylic acid, 4-(chloromethyl)-5-heptadecyl-, methyl ester 4-(chloromethyl)-5-heptadecyl-2-thiophenecarboxylic acid methyl ester 4-(chloromethyl)-5-heptadecyl-thiophene-2-carboxylic acid methyl ester Methyl 4-(chloromethyl)-5-heptadecyl-thiophene-2-carboxylate
Wiley ID 1380738