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4-Carboxy-4,5,6,7-tetrahydro-4-benzo(B)thiopheneacetic acid
SpectraBase Compound ID 9hVf4AIWmnq
InChI InChI=1S/C11H12O4S/c12-9(13)6-11(10(14)15)4-1-2-8-7(11)3-5-16-8/h3,5H,1-2,4,6H2,(H,12,13)(H,14,15)
InChIKey ZSNSYOVOANMMSY-UHFFFAOYSA-N
Mol Weight 240.27 g/mol
Molecular Formula C11H12O4S
Exact Mass 240.04563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JQZfEgCn1v6
Name 4-Carboxy-4,5,6,7-tetrahydro-4-benzo(B)thiopheneacetic acid
CAS Registry Number 81457-92-3
Comments SHIFTS FOR ATOMS 5 TO 11 ASSIGNED BY DKFZ
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H12O4S
InChI InChI=1S/C11H12O4S/c12-9(13)6-11(10(14)15)4-1-2-8-7(11)3-5-16-8/h3,5H,1-2,4,6H2,(H,12,13)(H,14,15)
InChIKey ZSNSYOVOANMMSY-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference P. Stanetty, H. Froehlich, Arch. Pharm. 317, 168 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6