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2-Hydroxy-3-(1-methyl-3-nitro-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)propyl nitrate
SpectraBase Compound ID ZcY7dBv5Gt
InChI InChI=1S/C6H9N5O7/c1-8-6(13)9(5(7-8)10(14)15)2-4(12)3-18-11(16)17/h4,12H,2-3H2,1H3
InChIKey COFGONPREMUHFP-UHFFFAOYSA-N
Mol Weight 263.17 g/mol
Molecular Formula C6H9N5O7
Exact Mass 263.050198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID zZgM9QNtZD
Name 2-Hydroxy-3-(1-methyl-3-nitro-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)propyl nitrate
CAS Registry Number 58954-11-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9N5O7
InChI InChI=1S/C6H9N5O7/c1-8-6(13)9(5(7-8)10(14)15)2-4(12)3-18-11(16)17/h4,12H,2-3H2,1H3
InChIKey COFGONPREMUHFP-UHFFFAOYSA-N
Molecular Weight 263.166 g/mol
SMILES OC(CON(=O)=O)CN1C(=NN(C)C1=O)N(=O)=O
SPLASH splash10-052g-9200000000-67e66cdf482081f13bf4
Source of Spectrum AD-0-2532-0
Synonyms 1,2,4-Triazol-5(4H)-one, 4-(2-hydroxy-3-nitroxypropyl)-1-methyl-3-nitro- 1H-1,2,4-Triazol-5-one, 4-(2-hydroxy-3-nitroxypropyl)-1-methyl-3-nitro- Nitric acid [2-hydroxy-3-(1-methyl-3-nitro-5-oxo-1,2,4-triazol-4-yl)propyl] ester [2-hydroxy-3-(1-methyl-3-nitro-5-oxo-1,2,4-triazol-4-yl)propyl] nitrate [3-(1-methyl-3-nitro-5-oxidanylidene-1,2,4-triazol-4-yl)-2-oxidanyl-propyl] nitrate
Wiley ID 1422518