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3-Cyclohexene-1-carboxylic acid, 2-(2-thienylmethyl)-
SpectraBase Compound ID aw0tuyNipA
InChI InChI=1S/C12H14O2S/c13-12(14)11-6-2-1-4-9(11)8-10-5-3-7-15-10/h1,3-5,7,9,11H,2,6,8H2,(H,13,14)
InChIKey FKIXSXZPTPYTBZ-UHFFFAOYSA-N
Mol Weight 222.3 g/mol
Molecular Formula C12H14O2S
Exact Mass 222.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6NuKRdN32Nn
Name 3-Cyclohexene-1-carboxylic acid, 2-(2-thienylmethyl)-
Alternate Name(s) 2-(2-Thenyl)-cyclohex-3-ene-1-carboxylic acid 2-(2-Thienylmethyl)-3-cyclohexene-1-carboxylic acid 2-(thiophen-2-ylmethyl)-1-cyclohex-3-enecarboxylic acid 2-(2-Thienylmethyl)cyclohex-3-ene-1-carboxylic acid 2-(thiophen-2-ylmethyl)cyclohex-3-ene-1-carboxylic acid
CAS Registry Number 112251-83-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c13-12(14)11-6-2-1-4-9(11)8-10-5-3-7-15-10/h1,3-5,7,9,11H,2,6,8H2,(H,13,14)
InChIKey FKIXSXZPTPYTBZ-UHFFFAOYSA-N
Molecular Weight 222.302 g/mol
SMILES OC(C1C(Cc2sccc2)C=CCC1)=O
SPLASH splash10-0002-9120000000-82f6ad8ab792128fecb8
Source of Spectrum I-65-1667-8
Wiley ID 1222126