John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=JA3TUrPJASm SpectraBase Spectrum ID=1Kyc7DgRPHV

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METHYL-5-OXO-5-(2-THIENYL)-PHENYLPENTANOATE
SpectraBase Compound ID JA3TUrPJASm
InChI InChI=1S/C10H12O3S/c1-13-10(12)6-2-4-8(11)9-5-3-7-14-9/h3,5,7H,2,4,6H2,1H3
InChIKey RVSQTFYOFNOGEQ-UHFFFAOYSA-N
Mol Weight 212.26 g/mol
Molecular Formula C10H12O3S
Exact Mass 212.050716 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Kyc7DgRPHV
Name METHYL-5-OXO-5-(2-THIENYL)-PHENYLPENTANOATE
Compound Number 3B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H12O3S
InChI InChI=1S/C10H12O3S/c1-13-10(12)6-2-4-8(11)9-5-3-7-14-9/h3,5,7H,2,4,6H2,1H3
InChIKey RVSQTFYOFNOGEQ-UHFFFAOYSA-N
Literature Reference Author M.YASUDA,N.OHIGASHI,I.SHIBATA,A.BABA
Literature Reference Citation J.ORG.CHEM.,64,2180(1999)
Literature Reference DOI 10.1021/jo990062b
Molecular Weight 212.263 g/mol
Sample ID 58599
Solvent CDCl3
SpectraBase Batch ID AWIZOblVSkU