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3-(3-Nitro-1H-1,2,4-triazol-1-yl)propanenitrile
SpectraBase Compound ID Eia6M7IZNPl
InChI InChI=1S/C5H5N5O2/c6-2-1-3-9-4-7-5(8-9)10(11)12/h4H,1,3H2
InChIKey RRWFQLWZNQTWMN-UHFFFAOYSA-N
Mol Weight 167.13 g/mol
Molecular Formula C5H5N5O2
Exact Mass 167.044324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8b3J7NOAwjF
Name 3-(3-Nitro-1H-1,2,4-triazol-1-yl)propanenitrile
Alternate Name(s) 1H-1.2,4-triazole-1-propanenitrile, 3-nitro- 3-(3-nitro-1,2,4-triazol-1-yl)propanenitrile 3-(3-nitro-1,2,4-triazol-1-yl)propionitrile
CAS Registry Number 159209-54-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H5N5O2
InChI InChI=1S/C5H5N5O2/c6-2-1-3-9-4-7-5(8-9)10(11)12/h4H,1,3H2
InChIKey RRWFQLWZNQTWMN-UHFFFAOYSA-N
Molecular Weight 167.128 g/mol
SMILES c1(nc[n](n1)CCC#N)N(=O)=O
SPLASH splash10-0udl-9200000000-0277aa4733f1e3745253
Source of Spectrum AD-0-2532-0
Wiley ID 1421574