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3-CARBOMETHOXY-2-PHENYL-2,5-DIHYDROTHIOPHENE

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3-CARBOMETHOXY-2-PHENYL-2,5-DIHYDROTHIOPHENE
SpectraBase Compound ID 3CG7OHyJD10
InChI InChI=1S/C12H12O2S/c1-14-12(13)10-7-8-15-11(10)9-5-3-2-4-6-9/h2-7,11H,8H2,1H3
InChIKey MFBGYMOINJZRPV-UHFFFAOYSA-N
Mol Weight 220.29 g/mol
Molecular Formula C12H12O2S
Exact Mass 220.055801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GzZL30L52NG
Name 2-Phenyl-2,5-dihydro-thiophene-3-carboxylic acid, methyl ester
CAS Registry Number 67488-47-5
Comments BRUKER CXP-100
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H12O2S
InChI InChI=1S/C12H12O2S/c1-14-12(13)10-7-8-15-11(10)9-5-3-2-4-6-9/h2-7,11H,8H2,1H3
InChIKey MFBGYMOINJZRPV-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference J. Mc Intosh, Can. J. Chem. 57, 131 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3