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5H-1,2,4-triazolo[4,3-b][1,2,4]triazepin-6(7H)-one, 8-methyl-3-[3-(4-nitrophenyl)propyl]-
SpectraBase Compound ID 7jJ1DVujLBB
InChI InChI=1S/C15H16N6O3/c1-10-9-14(22)19-20-13(17-18-15(20)16-10)4-2-3-11-5-7-12(8-6-11)21(23)24/h5-8H,2-4,9H2,1H3,(H,19,22)
InChIKey DCFHOXMXDFBNLY-UHFFFAOYSA-N
Mol Weight 328.33 g/mol
Molecular Formula C15H16N6O3
Exact Mass 328.128388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4nZnPavPvMl
Name 5H-1,2,4-triazolo[4,3-b][1,2,4]triazepin-6(7H)-one, 8-methyl-3-[3-(4-nitrophenyl)propyl]-
Alternate Name(s) 8-Methyl-3-(3-(4-nitrophenyl)propyl)-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-6(7H)-one 8-Methyl-3-[3-(4-nitrophenyl)propyl]-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-6(7H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N6O3
InChI InChI=1S/C15H16N6O3/c1-10-9-14(22)19-20-13(17-18-15(20)16-10)4-2-3-11-5-7-12(8-6-11)21(23)24/h5-8H,2-4,9H2,1H3,(H,19,22)
InChIKey DCFHOXMXDFBNLY-UHFFFAOYSA-N
Molecular Weight 328.332 g/mol
SMILES N1C(CC(=Nc2[n]1c(nn2)CCCc1ccc(cc1)[N+]([O-])=O)C)=O
SPLASH splash10-004i-4901000000-029327bfb513605afec1
Source of Spectrum JX-2015-3-486
Wiley ID 1724051