Debug Info

object
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_id
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AUrIhsnJCds
spectrumID
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AUrIhsnJCds
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:413191:1
hasStructureAssignments
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properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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spectralOutlier
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compound
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1-Benzyl-N-methyl-5-[(2,2,2-trifluoroacetyl)amino]triazole-4-carboxamide
SpectraBase Compound ID DtxIU2ADLLL
InChI InChI=1S/C13H12F3N5O2/c1-17-11(22)9-10(18-12(23)13(14,15)16)21(20-19-9)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,17,22)(H,18,23)
InChIKey IDYALEAGQGDBRT-UHFFFAOYSA-N
Mol Weight 327.27 g/mol
Molecular Formula C13H12F3N5O2
Exact Mass 327.094309 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AUrIhsnJCds
Name 1-Benzyl-N-methyl-5-[(2,2,2-trifluoroacetyl)amino]triazole-4-carboxamide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12F3N5O2
InChI InChI=1S/C13H12F3N5O2/c1-17-11(22)9-10(18-12(23)13(14,15)16)21(20-19-9)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,17,22)(H,18,23)
InChIKey IDYALEAGQGDBRT-UHFFFAOYSA-N
Molecular Weight 327.267 g/mol
SMILES N(C(c1c([n](nn1)Cc1ccccc1)NC(C(F)(F)F)=O)=O)C
SPLASH splash10-00kf-9320000000-4ccb84cfd6209f3ad1c7
Synonyms 1-Benzyl-N-methyl-5-[(trifluoroacetyl)amino]-1H-1,2,3-triazole-4-carboxamide N-methyl-1-(phenylmethyl)-5-[(2,2,2-trifluoro-1-oxoethyl)amino]-4-triazolecarboxamide N-methyl-1-(phenylmethyl)-5-[2,2,2-tris(fluoranyl)ethanoylamino]-1,2,3-triazole-4-carboxamide
Wiley ID 1510757
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