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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 pAh6C0NbIW
Name 4-PHENYL-5-THIOXO-2-TETRAZOLINE-1-PROPIONIC ACID, METHYL ESTER
Source of Sample G. L'Abbe, G. Vermeulen, J. Flemal J. Org. Chem. 41, 1875(1976)
CAS Registry Number 58438-25-8
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. 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
Molecular Weight 264.31
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Varian XL-100
Synonyms 2-TETRAZOLINE-1-PROPIONIC ACID, 4-PHENYL-5-THIOXO-, METHYL ESTER