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4-(2-Cyano-ethyl)-4,5,6,7-tetrahydro-4-benzo(B)thiophenic acid

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4-(2-Cyano-ethyl)-4,5,6,7-tetrahydro-4-benzo(B)thiophenic acid
SpectraBase Compound ID Ios4MqoE5ml
InChI InChI=1S/C12H13NO2S/c13-7-2-6-12(11(14)15)5-1-3-10-9(12)4-8-16-10/h4,8H,1-3,5-6H2,(H,14,15)
InChIKey SVZSXNPDMPSSQS-UHFFFAOYSA-N
Mol Weight 235.3 g/mol
Molecular Formula C12H13NO2S
Exact Mass 235.0667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9vHRiDdvdBx
Name 4-(2-Cyano-ethyl)-4,5,6,7-tetrahydro-4-benzo(B)thiophenic acid
CAS Registry Number 105776-49-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H13NO2S
InChI InChI=1S/C12H13NO2S/c13-7-2-6-12(11(14)15)5-1-3-10-9(12)4-8-16-10/h4,8H,1-3,5-6H2,(H,14,15)
InChIKey SVZSXNPDMPSSQS-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference P. Stanetty, H. Froehlich, F. Sauter, Monatsh. Chem. 117, 69 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3