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METHYL-7-OXO-5-THIA-2-HEPTENOATE
SpectraBase Compound ID JIpeVsait1q
InChI InChI=1S/C7H10O3S/c1-10-7(9)3-2-5-11-6-4-8/h2-4H,5-6H2,1H3/b3-2+
InChIKey LWFPVQXBAHNYGY-NSCUHMNNSA-N
Mol Weight 174.21 g/mol
Molecular Formula C7H10O3S
Exact Mass 174.035065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1MwPzoJH8Ap
Name METHYL-7-OXO-5-THIA-2-HEPTENOATE
CAS Registry Number 127355-01-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H10O3S
InChI InChI=1S/C7H10O3S/c1-10-7(9)3-2-5-11-6-4-8/h2-4H,5-6H2,1H3/b3-2+
InChIKey LWFPVQXBAHNYGY-NSCUHMNNSA-N
Literature Reference Author H.G.AURICH,M.BOUTAHAR,H.KOESTER,K.D.MOEBUS,L.RUIZ
Literature Reference Citation CHEM.BER.,123,1999(1990)
Literature Reference DOI 10.1002/cber.19901231011
Molecular Weight 174.215 g/mol
Solvent CDCl3
Source File Reference UWED10284