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3-Thiophenecarboxylic acid, 2-(1-hydroxyheptyl)-
SpectraBase Compound ID FK0DHsM6MRG
InChI InChI=1S/C12H18O3S/c1-2-3-4-5-6-10(13)11-9(12(14)15)7-8-16-11/h7-8,10,13H,2-6H2,1H3,(H,14,15)
InChIKey HAHVZPUMEJMCQS-UHFFFAOYSA-N
Mol Weight 242.33 g/mol
Molecular Formula C12H18O3S
Exact Mass 242.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7LEQN4lrI21
Name 3-Thiophenecarboxylic acid, 2-(1-hydroxyheptyl)-
Alternate Name(s) 2-(1-hydroxyheptyl)-3-thiophenecarboxylic acid 2-(1-Hydroxyheptyl)thiophen-3-carboxylic acid
CAS Registry Number 77756-30-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3S
InChI InChI=1S/C12H18O3S/c1-2-3-4-5-6-10(13)11-9(12(14)15)7-8-16-11/h7-8,10,13H,2-6H2,1H3,(H,14,15)
InChIKey HAHVZPUMEJMCQS-UHFFFAOYSA-N
Molecular Weight 242.333 g/mol
SMILES OC(c1c(C(=O)O)ccs1)CCCCCC
SPLASH splash10-0bti-0900000000-a14bce8325cb1472147f
Source of Spectrum KC-1983-794-0
Wiley ID 1244800