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Methyl 4-(chloromethyl)-5-pentadecyl-2-thiophenecarboxylate
SpectraBase Compound ID PvkrPVRYbW
InChI InChI=1S/C22H37ClO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-19(18-23)17-21(26-20)22(24)25-2/h17H,3-16,18H2,1-2H3
InChIKey CPNRIPVLBPHNQQ-UHFFFAOYSA-N
Mol Weight 401.0 g/mol
Molecular Formula C22H37ClO2S
Exact Mass 400.220279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0Iw1GzNKm
Name Methyl 4-(chloromethyl)-5-pentadecyl-2-thiophenecarboxylate
CAS Registry Number 59782-45-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H37ClO2S
InChI InChI=1S/C22H37ClO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-19(18-23)17-21(26-20)22(24)25-2/h17H,3-16,18H2,1-2H3
InChIKey CPNRIPVLBPHNQQ-UHFFFAOYSA-N
Molecular Weight 401.049 g/mol
SMILES CCCCCCCCCCCCCCCc1c(cc(C(=O)OC)s1)CCl
SPLASH splash10-0gb9-5952300000-3f5338e0693d23abc944
Source of Spectrum W5-0-0-0
Synonyms 2-Thiophenecarboxylic acid, 4-(chloromethyl)-5-pentadecyl-, methyl ester 4-(chloromethyl)-5-pentadecyl-2-thiophenecarboxylic acid methyl ester 4-(chloromethyl)-5-pentadecyl-thiophene-2-carboxylic acid methyl ester Methyl 4-(chloromethyl)-5-pentadecyl-thiophene-2-carboxylate
Wiley ID 1369441