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object
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_id
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LpTYqCQhbiX
spectrumID
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LpTYqCQhbiX
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131072
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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compound
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5H-pyrazolo[5,1-c]-1,2,4-triazole-7-carboxylic acid, 6-methyl-3-[(4-nitrophenyl)methyl]-, ethyl ester
SpectraBase Compound ID FE440MCUqLH
InChI InChI=1S/C15H15N5O4/c1-3-24-15(21)13-9(2)18-19-12(16-17-14(13)19)8-10-4-6-11(7-5-10)20(22)23/h4-7,18H,3,8H2,1-2H3
InChIKey PXKFZIPIONBOHK-UHFFFAOYSA-N
Mol Weight 329.32 g/mol
Molecular Formula C15H15N5O4
Exact Mass 329.112404 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LpTYqCQhbiX
Name 5H-pyrazolo[5,1-c]-1,2,4-triazole-7-carboxylic acid, 6-methyl-3-[(4-nitrophenyl)methyl]-, ethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15N5O4
InChI InChI=1S/C15H15N5O4/c1-3-24-15(21)13-9(2)18-19-12(16-17-14(13)19)8-10-4-6-11(7-5-10)20(22)23/h4-7,18H,3,8H2,1-2H3
InChIKey PXKFZIPIONBOHK-UHFFFAOYSA-N
Molecular Weight 329.316 g/mol
SMILES N1[n]2c(C(=C1C)C(OCC)=O)nnc2Cc1ccc(cc1)[N+]([O-])=O
SPLASH splash10-0059-0098000000-c9ba714a01b029c7db12
Source of Spectrum JX-2015-3-514
Synonyms Ethyl 6-methyl-3-(4-nitrobenzyl)-5H-pyrazolo[5,1-c][1,2,4]triazole-7-carboxylate 6-Methyl-3-[(4-nitrophenyl)methyl]-5H-pyrazolo[5,1-c][1,2,4]triazole-7-carboxylic acid ethyl ester Ethyl 6-methyl-3-[(4-nitrophenyl)methyl]-5H-pyrazolo[5,1-c][1,2,4]triazole-7-carboxylate
Wiley ID 1724077
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