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4-PHENYL-5-THIOXO-2-TETRAZOLINE-1-PROPIONIC ACID, METHYL ESTER

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4-PHENYL-5-THIOXO-2-TETRAZOLINE-1-PROPIONIC ACID, METHYL ESTER
SpectraBase Compound ID 32XVdRH7q2I
InChI InChI=1S/C11H12N4O2S/c1-17-10(16)7-8-14-11(18)15(13-12-14)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey LBMSRCMZJLHVTP-UHFFFAOYSA-N
Mol Weight 264.3 g/mol
Molecular Formula C11H12N4O2S
Exact Mass 264.068097 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1r8E4HFAvjt
Name 3-(1-Phenyl-tetrazol-5(4H)-thione-4-yl)-propanoic acid, methyl este
CAS Registry Number 58438-25-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H12N4O2S
InChI InChI=1S/C11H12N4O2S/c1-17-10(16)7-8-14-11(18)15(13-12-14)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey LBMSRCMZJLHVTP-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference G. L'Abbe, G. Vermeulen, J. Flemal, J. Org. Chem. 41, 1875 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3