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1-benzyl-3-nitro-1H-1,2,4-triazole
SpectraBase Compound ID KZQ7etpdt6Q
InChI InChI=1S/C9H8N4O2/c14-13(15)9-10-7-12(11-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey UKKSDGCKRNHUHY-UHFFFAOYSA-N
Mol Weight 204.19 g/mol
Molecular Formula C9H8N4O2
Exact Mass 204.064726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hH1R0CIbSY
Name 1-Benzyl-3-nitro-1H-1,2,4-triazole
Alternate Name(s) 1-Benzyl-3-nitro-1,2,4-triazole 3-Nitro-1-(phenylmethyl)-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N4O2
InChI InChI=1S/C9H8N4O2/c14-13(15)9-10-7-12(11-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey UKKSDGCKRNHUHY-UHFFFAOYSA-N
Molecular Weight 204.189 g/mol
SMILES c1(nc[n](n1)Cc1ccccc1)N(=O)=O
SPLASH splash10-0006-9120000000-2b8fb3c980325506dacc
Source of Spectrum F-47-5478-5
Wiley ID 1201339