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N-[4-(cyanomethyl)phenyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
SpectraBase Compound ID 1OHKzqiUUtG
InChI InChI=1S/C12H10N6O3/c13-6-5-9-1-3-10(4-2-9)15-11(19)7-17-8-14-12(16-17)18(20)21/h1-4,8H,5,7H2,(H,15,19)
InChIKey ZSOPDIKURQFWOW-UHFFFAOYSA-N
Mol Weight 286.25 g/mol
Molecular Formula C12H10N6O3
Exact Mass 286.081438 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AFoMUi4Ycob
Name N-[4-(cyanomethyl)phenyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N6O3
InChI InChI=1S/C12H10N6O3/c13-6-5-9-1-3-10(4-2-9)15-11(19)7-17-8-14-12(16-17)18(20)21/h1-4,8H,5,7H2,(H,15,19)
InChIKey ZSOPDIKURQFWOW-UHFFFAOYSA-N
Molecular Weight 286.251 g/mol
SMILES N(C(C[n]1nc(nc1)N(=O)=O)=O)c1ccc(CC#N)cc1
SPLASH splash10-0569-8910000000-ed0877e71b25ca6db2fa
Source of Spectrum IY-2-5093-7
Synonyms N-[4-(cyanomethyl)phenyl]-2-(3-nitro-1,2,4-triazol-1-yl)ethanamide
Wiley ID 1658920