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5-(2-Methylpropyl)-2-phenyl-1H-1,2,4-triazol-3-one

View entire compound with spectra: 1 MS (GC)

5-(2-Methylpropyl)-2-phenyl-1H-1,2,4-triazol-3-one
SpectraBase Compound ID HCgXJ89heWa
InChI InChI=1S/C12H15N3O/c1-9(2)8-11-13-12(16)15(14-11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14,16)
InChIKey WCTYFBDWCXTNTP-UHFFFAOYSA-N
Mol Weight 217.27 g/mol
Molecular Formula C12H15N3O
Exact Mass 217.121512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1NfGfRtD1s
Name 5-(2-Methylpropyl)-2-phenyl-1H-1,2,4-triazol-3-one
Alternate Name(s) 5-isobutyl-2-phenyl-1H-1,2,4-triazol-3-one
CAS Registry Number 28669-33-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N3O
InChI InChI=1S/C12H15N3O/c1-9(2)8-11-13-12(16)15(14-11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14,16)
InChIKey WCTYFBDWCXTNTP-UHFFFAOYSA-N
Molecular Weight 217.272 g/mol
SMILES N1N(C(N=C1CC(C)C)=O)c1ccccc1
SPLASH splash10-006x-9620000000-43e58a1581a8c489164f
Source of Spectrum O-5-118-6
Wiley ID 1216575