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4-(N-BENZYLTHIOCARBAMOYLTHIO)-BUTYRIC-ACID

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(N-BENZYLTHIOCARBAMOYLTHIO)-BUTYRIC-ACID
SpectraBase Compound ID FV1UjsQXDL5
InChI InChI=1S/C12H15NO2S2/c14-11(15)7-4-8-17-12(16)13-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,16)(H,14,15)
InChIKey CIPJQWJCMQRPAN-UHFFFAOYSA-N
Mol Weight 269.38 g/mol
Molecular Formula C12H15NO2S2
Exact Mass 269.054421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KpfKCpomOek
Name 4-(N-BENZYLTHIOCARBAMOYLTHIO)-BUTYRIC-ACID
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15NO2S2
InChI InChI=1S/C12H15NO2S2/c14-11(15)7-4-8-17-12(16)13-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,16)(H,14,15)
InChIKey CIPJQWJCMQRPAN-UHFFFAOYSA-N
Literature Reference Author W.HANEFELD,H.SCHUETZ
Literature Reference Citation J.HETCYCL.CHEM.,36,1167(1999)
Literature Reference DOI 10.1002/jhet.5570360509
Molecular Weight 269.377 g/mol
Solvent CDCl3
Source File Reference UWSI24514