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2-Phenyl-5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-one
SpectraBase Compound ID Jh9xz55Opmc
InChI InChI=1S/C11H11N3O/c1-2-6-10-12-11(15)14(13-10)9-7-4-3-5-8-9/h2-8H,1H3,(H,12,13,15)/b6-2+
InChIKey KMVFCRPCKBXYCF-QHHAFSJGSA-N
Mol Weight 201.23 g/mol
Molecular Formula C11H11N3O
Exact Mass 201.090212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0qdluTfaQy
Name 2-Phenyl-5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-one
CAS Registry Number 5360-26-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N3O
InChI InChI=1S/C11H11N3O/c1-2-6-10-12-11(15)14(13-10)9-7-4-3-5-8-9/h2-8H,1H3,(H,12,13,15)/b6-2+
InChIKey KMVFCRPCKBXYCF-QHHAFSJGSA-N
Molecular Weight 201.229 g/mol
SMILES N1C(=NN(C1=O)c1ccccc1)\C=C\C
SPLASH splash10-0udl-8190000000-604ae35026314672829a
Source of Spectrum O-5-119-9
Wiley ID 23650