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2-Thiophenecarboxylic acid, 5-(1-hydroxyheptyl)-, methyl ester
SpectraBase Compound ID BbpfKJbsKze
InChI InChI=1S/C13H20O3S/c1-3-4-5-6-7-10(14)11-8-9-12(17-11)13(15)16-2/h8-10,14H,3-7H2,1-2H3
InChIKey JYRIEHHHKFPWCY-UHFFFAOYSA-N
Mol Weight 256.36 g/mol
Molecular Formula C13H20O3S
Exact Mass 256.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GX3FErcGJk8
Name 2-Thiophenecarboxylic acid, 5-(1-hydroxyheptyl)-, methyl ester
CAS Registry Number 86752-00-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3S
InChI InChI=1S/C13H20O3S/c1-3-4-5-6-7-10(14)11-8-9-12(17-11)13(15)16-2/h8-10,14H,3-7H2,1-2H3
InChIKey JYRIEHHHKFPWCY-UHFFFAOYSA-N
Molecular Weight 256.360 g/mol
SMILES OC(c1sc(cc1)C(=O)OC)CCCCCC
SPLASH splash10-022l-0900000000-57fb50e0a33dba03fc46
Source of Spectrum KC-1983-793-0
Synonyms Methyl 5-(1-hydroxyheptyl)-2-thiophenecarboxylate Methyl 5-(1-hydroxyheptyl)thiopen-2-carboxylate
Wiley ID 1259554