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1-{6-Methyl-3-[3-(4-nitrophenyl)propyl]-1H-pyrazolo[5,1-c][1,2,4]triazol-1-yl}ethanone
SpectraBase Compound ID Alu8M8DPCIj
InChI InChI=1S/C16H17N5O3/c1-11-10-16-19(12(2)22)18-15(20(16)17-11)5-3-4-13-6-8-14(9-7-13)21(23)24/h6-10H,3-5H2,1-2H3
InChIKey QTWRXBAOJFBZEE-UHFFFAOYSA-N
Mol Weight 327.34 g/mol
Molecular Formula C16H17N5O3
Exact Mass 327.133139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dKFJYhWrDC
Name 1-{6-Methyl-3-[3-(4-nitrophenyl)propyl]-1H-pyrazolo[5,1-c][1,2,4]triazol-1-yl}ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N5O3
InChI InChI=1S/C16H17N5O3/c1-11-10-16-19(12(2)22)18-15(20(16)17-11)5-3-4-13-6-8-14(9-7-13)21(23)24/h6-10H,3-5H2,1-2H3
InChIKey QTWRXBAOJFBZEE-UHFFFAOYSA-N
Molecular Weight 327.344 g/mol
SMILES CC(=O)N1N=C(CCCc2ccc(cc2)[N+]([O-])=O)[n]2nc(C)cc12
SPLASH splash10-000i-4910000000-8e785f992d5aaa0db49d
Source of Spectrum JX-2015-3-460
Synonyms 1-(6-Methyl-3-(3-(4-nitrophenyl)propyl)-1H-pyrazolo[5,1-c][1,2,4]triazol-1-yl)ethanone 1-[6-methyl-3-[3-(4-nitrophenyl)propyl]-1-pyrazolo[5,1-c][1,2,4]triazolyl]ethanone
Wiley ID 1724026