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TUSSXVYKOOVOID-UHFFFAOYSA-N
SpectraBase Compound ID 6f5D0VZx5G6
InChI InChI=1S/C6H8O3S/c1-9-6(8)5-4(7)2-3-10-5/h5H,2-3H2,1H3
InChIKey TUSSXVYKOOVOID-UHFFFAOYSA-N
Mol Weight 160.19 g/mol
Molecular Formula C6H8O3S
Exact Mass 160.019415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5QJnLsTm9AO
Name 3-OXOTETRAHYDRO-2-THIOPHENECARBOXYLIC ACID, METHYL ESTER
Source of Sample R. Rupprecht, W. Bremser BASF Ludwigshafen (1984)
CAS Registry Number 2689-69-2
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H8O3S
InChI InChI=1S/C6H8O3S/c1-9-6(8)5-4(7)2-3-10-5/h5H,2-3H2,1H3
InChIKey TUSSXVYKOOVOID-UHFFFAOYSA-N
Molecular Weight 160.19
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker AM-270
Synonyms 2-THIOPHENECARBOXYLIC ACID, 3-OXO- TETRAHYDRO-, METHYL ESTER