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5-(4-Tolyl)-2,3-dihydro-1,2,4-triazol-3-one

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5-(4-Tolyl)-2,3-dihydro-1,2,4-triazol-3-one
SpectraBase Compound ID DUNkdLNrfL6
InChI InChI=1S/C9H9N3O/c1-6-2-4-7(5-3-6)8-10-9(13)12-11-8/h2-5H,1H3,(H2,10,11,12,13)
InChIKey MNHXQVGGHYZRBU-UHFFFAOYSA-N
Mol Weight 175.19 g/mol
Molecular Formula C9H9N3O
Exact Mass 175.074562 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KGlVUtmH04y
Name 5-(4-Tolyl)-2,3-dihydro-1,2,4-triazol-3-one
CAS Registry Number 3214-02-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H9N3O
InChI InChI=1S/C9H9N3O/c1-6-2-4-7(5-3-6)8-10-9(13)12-11-8/h2-5H,1H3,(H2,10,11,12,13)
InChIKey MNHXQVGGHYZRBU-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference W.M. Litchman, U. Hollstein, Org. Magn. Resonance 11, 137 (1978).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6