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1-Propanone, 1-[5-methyl-3-(5-nitro-2-furanyl)-1H-1,2,4-triazol-1-yl]-
SpectraBase Compound ID FjK0iGvxlZl
InChI InChI=1S/C10H10N4O4/c1-3-8(15)13-6(2)11-10(12-13)7-4-5-9(18-7)14(16)17/h4-5H,3H2,1-2H3
InChIKey MQBFRBRZOHVTTA-UHFFFAOYSA-N
Mol Weight 250.21 g/mol
Molecular Formula C10H10N4O4
Exact Mass 250.070205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4OSKxaDvxn6
Name 1-Propanone, 1-[5-methyl-3-(5-nitro-2-furanyl)-1H-1,2,4-triazol-1-yl]-
CAS Registry Number 35732-75-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10N4O4
InChI InChI=1S/C10H10N4O4/c1-3-8(15)13-6(2)11-10(12-13)7-4-5-9(18-7)14(16)17/h4-5H,3H2,1-2H3
InChIKey MQBFRBRZOHVTTA-UHFFFAOYSA-N
Molecular Weight 250.214 g/mol
SMILES CCC([n]1c(C)nc(-c2ccc(N(=O)=O)o2)n1)=O
SPLASH splash10-056u-9500000000-c70b831484d14889aacb
Source of Spectrum AJ-45-1880-2
Synonyms 5-Methyl-3-(5-nitro-2-furyl)-1-propionyl-1H-1,2,4-triazole 1-[5-methyl-3-(5-nitro-2-furanyl)-1,2,4-triazol-1-yl]-1-propanone 1-[5-methyl-3-(5-nitro-2-furyl)-1,2,4-triazol-1-yl]propan-1-one 1-[5-methyl-3-(5-nitrofuran-2-yl)-1,2,4-triazol-1-yl]propan-1-one
Wiley ID 1252684