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LDQUXIWHMSINFK-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR

LDQUXIWHMSINFK-UHFFFAOYSA-N
SpectraBase Compound ID 4GQ9cBFYyaW
InChI InChI=1S/C8H7N3O2/c12-8-10-9-7(11(8)13)6-4-2-1-3-5-6/h1-5,13H,(H,10,12)
InChIKey LDQUXIWHMSINFK-UHFFFAOYSA-N
Mol Weight 177.16 g/mol
Molecular Formula C8H7N3O2
Exact Mass 177.053826 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AIv5DIKMl6m
Name 4-HYDROXY-3-PHENYL-4,5-DIHYDRO-1,2,4-TRIAZOL-5-ONE
Compound Number 2F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H6N3O2
InChI InChI=1S/C8H7N3O2/c12-8-10-9-7(11(8)13)6-4-2-1-3-5-6/h1-5,13H,(H,10,12)
InChIKey LDQUXIWHMSINFK-UHFFFAOYSA-N
Literature Reference Author A.A.IKIZLER,K.SANCAK
Literature Reference Citation MH.CHEM.,123,257(1992)
Literature Reference DOI 10.1007/BF00810474
Molecular Weight 176.155 g/mol
Solvent DMSO-D6
Source File Reference UWCS21201