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3,5-Diacetyl-1-benzyl-1H-1,2,4-triazole
SpectraBase Compound ID 2OJi0eN4ynm
InChI InChI=1S/C13H13N3O2/c1-9(17)12-14-13(10(2)18)16(15-12)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKey CHSCRHUCAJKSJS-UHFFFAOYSA-N
Mol Weight 243.27 g/mol
Molecular Formula C13H13N3O2
Exact Mass 243.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ae5XiT2mYH
Name 3,5-Diacetyl-1-benzyl-1H-1,2,4-triazole
Alternate Name(s) 1-(3-acetyl-1-benzyl-1H-1,2,4-triazol-5-yl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O2
InChI InChI=1S/C13H13N3O2/c1-9(17)12-14-13(10(2)18)16(15-12)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKey CHSCRHUCAJKSJS-UHFFFAOYSA-N
Molecular Weight 243.266 g/mol
SMILES c1(n[n](c(n1)C(=O)C)Cc1ccccc1)C(=O)C
SPLASH splash10-0006-9560000000-716b57d6190856ee394a
Source of Spectrum SO-0-401-6
Wiley ID 1543048