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2-Phenyl-1H-1,2,4-triazol-3-one
SpectraBase Compound ID K9XI9sTRIBI
InChI InChI=1S/C8H7N3O/c12-8-9-6-10-11(8)7-4-2-1-3-5-7/h1-6H,(H,9,10,12)
InChIKey FMCSQSRRTBWAFT-UHFFFAOYSA-N
Mol Weight 161.16 g/mol
Molecular Formula C8H7N3O
Exact Mass 161.058912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2WxHv9dzMHy
Name 2-Phenyl-1H-1,2,4-triazol-3-one
Alternate Name(s) 2-Phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CAS Registry Number 21434-16-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7N3O
InChI InChI=1S/C8H7N3O/c12-8-9-6-10-11(8)7-4-2-1-3-5-7/h1-6H,(H,9,10,12)
InChIKey FMCSQSRRTBWAFT-UHFFFAOYSA-N
Molecular Weight 161.164 g/mol
SMILES N1C=NN(C1=O)c1ccccc1
SPLASH splash10-01ox-8900000000-eadf131dd41ae0ea2027
Source of Spectrum O-5-118-1
Wiley ID 1157616