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2-Phenyl-5-propan-2-yl-1H-1,2,4-triazol-3-one
SpectraBase Compound ID 8Gs96Ci7LIJ
InChI InChI=1S/C11H13N3O/c1-8(2)10-12-11(15)14(13-10)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13,15)
InChIKey KBPQPGGZFJQHMG-UHFFFAOYSA-N
Mol Weight 203.24 g/mol
Molecular Formula C11H13N3O
Exact Mass 203.105862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3Ymhbzcf6e
Name 2-Phenyl-5-propan-2-yl-1H-1,2,4-triazol-3-one
CAS Registry Number 28669-32-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13N3O
InChI InChI=1S/C11H13N3O/c1-8(2)10-12-11(15)14(13-10)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13,15)
InChIKey KBPQPGGZFJQHMG-UHFFFAOYSA-N
Molecular Weight 203.245 g/mol
SMILES N1C(N(N=C1C(C)C)c1ccccc1)=O
SPLASH splash10-0f6x-9170000000-b3baf2e5a7bd211b1c47
Source of Spectrum O-5-118-5
Synonyms 5-isopropyl-2-phenyl-1H-1,2,4-triazol-3-one
Wiley ID 1200770