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4-Carboxy-4,5,6,7-tetrahydro-4-benzo(B)thiophenepropionic acid

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4-Carboxy-4,5,6,7-tetrahydro-4-benzo(B)thiophenepropionic acid
SpectraBase Compound ID 8VRCXcfNjRi
InChI InChI=1S/C12H14O4S/c13-10(14)3-6-12(11(15)16)5-1-2-9-8(12)4-7-17-9/h4,7H,1-3,5-6H2,(H,13,14)(H,15,16)
InChIKey PYOUMAFVSLPBAO-UHFFFAOYSA-N
Mol Weight 254.3 g/mol
Molecular Formula C12H14O4S
Exact Mass 254.06128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G4IZKsnbtq
Name 4-Carboxy-4,5,6,7-tetrahydro-4-benzo(B)thiophenepropionic acid
CAS Registry Number 105776-50-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H14O4S
InChI InChI=1S/C12H14O4S/c13-10(14)3-6-12(11(15)16)5-1-2-9-8(12)4-7-17-9/h4,7H,1-3,5-6H2,(H,13,14)(H,15,16)
InChIKey PYOUMAFVSLPBAO-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