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1-PHENYL-1,2,5-TRIAZOLE-3-CARBONITRILE
SpectraBase Compound ID BuxpS77Rzzw
InChI InChI=1S/C9H6N4/c10-6-8-7-11-13(12-8)9-4-2-1-3-5-9/h1-5,7H
InChIKey YDVBGXDSHUNXFK-UHFFFAOYSA-N
Mol Weight 170.17 g/mol
Molecular Formula C9H6N4
Exact Mass 170.059246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4uinJPrBREo
Name 2H-1,2,3-Triazole-4-carbonitrile, 2-phenyl-
Alternate Name(s) 2-Phenyl-1,2,3-triazole-4-carbonitrile 2-Phenyl-2H-1,2,3-triazole-4-carbonitrile 2-Phenyl-4-triazolecarbonitrile 2-Phenyltriazole-4-carbonitrile
CAS Registry Number 36386-83-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6N4
InChI InChI=1S/C9H6N4/c10-6-8-7-11-13(12-8)9-4-2-1-3-5-9/h1-5,7H
InChIKey YDVBGXDSHUNXFK-UHFFFAOYSA-N
Molecular Weight 170.175 g/mol
SMILES c1(n[n](nc1)-c1ccccc1)C#N
SPLASH splash10-004i-9300000000-f68c8103ac850a6be248
Source of Spectrum KC-1986-1380-0
Wiley ID 1166450