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4,5,6,7-tetrahydro-4-methyl-3-(4-nitrophenyl)-3H-1,2,3-triazolo[4,5-b]pyridin
SpectraBase Compound ID 5RaLdXX6t79
InChI InChI=1S/C12H13N5O2/c1-15-8-2-3-11-12(15)16(14-13-11)9-4-6-10(7-5-9)17(18)19/h4-7H,2-3,8H2,1H3
InChIKey XCHQQUDUYQDTPO-UHFFFAOYSA-N
Mol Weight 259.27 g/mol
Molecular Formula C12H13N5O2
Exact Mass 259.106925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbVfgL2rBnM
Name 4,5,6,7-tetrahydro-4-methyl-3-(4-nitrophenyl)-3H-1,2,3-triazolo[4,5-b]pyridin
CAS Registry Number 104739-42-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N5O2
InChI InChI=1S/C12H13N5O2/c1-15-8-2-3-11-12(15)16(14-13-11)9-4-6-10(7-5-9)17(18)19/h4-7H,2-3,8H2,1H3
InChIKey XCHQQUDUYQDTPO-UHFFFAOYSA-N
Molecular Weight 259.269 g/mol
SMILES c12[n](nnc2CCCN1C)-c1ccc(N(=O)=O)cc1
SPLASH splash10-0a4i-9310000000-ab1f86ae48f161163c97
Source of Spectrum K-119-3597-8
Synonyms 4-Methyl-3-(4-nitrophenyl)-4,5,6,7-tetrahydro-3H-[1,2,3]triazolo[4,5-b]pyridine
Wiley ID 1262554