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Methyl 4-(chloromethyl)-5-tridecyl-2-thiophenecarboxylate
SpectraBase Compound ID 4KiKKwqAQ43
InChI InChI=1S/C20H33ClO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-17(16-21)15-19(24-18)20(22)23-2/h15H,3-14,16H2,1-2H3
InChIKey PNQGTKYWGPDWBU-UHFFFAOYSA-N
Mol Weight 373.0 g/mol
Molecular Formula C20H33ClO2S
Exact Mass 372.188979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2caU8OoRRfo
Name Methyl 4-(chloromethyl)-5-tridecyl-2-thiophenecarboxylate
CAS Registry Number 59782-44-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H33ClO2S
InChI InChI=1S/C20H33ClO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-17(16-21)15-19(24-18)20(22)23-2/h15H,3-14,16H2,1-2H3
InChIKey PNQGTKYWGPDWBU-UHFFFAOYSA-N
Molecular Weight 372.995 g/mol
SMILES CCCCCCCCCCCCCc1c(cc(C(=O)OC)s1)CCl
SPLASH splash10-0gbc-9623000000-7bd7678d03d8777285c9
Source of Spectrum W5-0-0-0
Synonyms 2-Thiophenecarboxylic acid, 4-(chloromethyl)-5-tridecyl-, methyl ester 4-(chloromethyl)-5-tridecyl-2-thiophenecarboxylic acid methyl ester 4-(chloromethyl)-5-tridecyl-thiophene-2-carboxylic acid methyl ester Methyl 4-(chloromethyl)-5-tridecyl-thiophene-2-carboxylate
Wiley ID 1355437