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GKKWPEGHSYGKRP-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR

GKKWPEGHSYGKRP-UHFFFAOYSA-N
SpectraBase Compound ID CozrplyuWRX
InChI InChI=1S/C9H8O2S/c1-11-9(10)8-6-4-2-3-5-7(6)12-8/h2-5,8H,1H3
InChIKey GKKWPEGHSYGKRP-UHFFFAOYSA-N
Mol Weight 180.22 g/mol
Molecular Formula C9H8O2S
Exact Mass 180.024501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6WpDvNvd6e6
Name 2H-Benzothiet-2-carboxylic acid, methyl ester
CAS Registry Number 58150-62-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H8O2S
InChI InChI=1S/C9H8O2S/c1-11-9(10)8-6-4-2-3-5-7(6)12-8/h2-5,8H,1H3
InChIKey GKKWPEGHSYGKRP-UHFFFAOYSA-N
Instrument Name Bruker WP-60
Literature Reference E. Voigt, H. Meier, Chem. Ber. 110, 2242 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3