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4-(Ethoxycarbonyl)-5,6-dihydro-1,2,3-triazolo[1,5-a]benzo[1,5]diazpin-6(7H)-one
SpectraBase Compound ID 4RKimxRHw1B
InChI InChI=1S/C13H12N4O3/c1-2-20-13(19)12-10-7-11(18)14-8-5-3-4-6-9(8)17(10)16-15-12/h3-6H,2,7H2,1H3,(H,14,18)
InChIKey VFVISTHXNAFMRL-UHFFFAOYSA-N
Mol Weight 272.26 g/mol
Molecular Formula C13H12N4O3
Exact Mass 272.09094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GxxjhStQImo
Name 4-(Ethoxycarbonyl)-5,6-dihydro-1,2,3-triazolo[1,5-a]benzo[1,5]diazpin-6(7H)-one
Alternate Name(s) 5-oxo-4,6-dihydrotriazolo[1,5-a][1,5]benzodiazepine-3-carboxylic acid ethyl ester ethyl 5-oxo-4,6-dihydrotriazolo[1,5-a][1,5]benzodiazepine-3-carboxylate ethyl 5-oxidanylidene-4,6-dihydro-[1,2,3]triazolo[1,5-a][1,5]benzodiazepine-3-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C13H12N4O3
InChI InChI=1S/C13H12N4O3/c1-2-20-13(19)12-10-7-11(18)14-8-5-3-4-6-9(8)17(10)16-15-12/h3-6H,2,7H2,1H3,(H,14,18)
InChIKey VFVISTHXNAFMRL-UHFFFAOYSA-N
Molecular Weight 272.264 g/mol
SMILES N1c2c(-[n]3c(CC1=O)c(nn3)C(=O)OCC)cccc2
SPLASH splash10-0002-9010000000-aa4dd1092976c0b4e3d5
Source of Spectrum SO-0-656-8
Wiley ID 1541472