Debug Info

object
{15}
_id
:
LHgRwMI1Y2W
spectrumID
:
LHgRwMI1Y2W
cost
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1
specType
:
131072
xnmrNucleus
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0
dbLocation
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WMSL3X:97943:1
hasStructureAssignments
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false
properties
{10}
analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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false
spectralOutlier
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false
compound
{10}
lastUpdated
:
1735074081058
isDeprecated
:
false

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Methyl 3-amino-4-[(5-phenyl-1H-pyrazol-3-yl)amino]benzoate
SpectraBase Compound ID IZ0dCFO0GRl
InChI InChI=1S/C17H16N4O2/c1-23-17(22)12-7-8-14(13(18)9-12)19-16-10-15(20-21-16)11-5-3-2-4-6-11/h2-10H,18H2,1H3,(H2,19,20,21)
InChIKey IZRMDERMBRRYQL-UHFFFAOYSA-N
Mol Weight 308.34 g/mol
Molecular Formula C17H16N4O2
Exact Mass 308.127326 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LHgRwMI1Y2W
Name Methyl 3-amino-4-[(5-phenyl-1H-pyrazol-3-yl)amino]benzoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N4O2
InChI InChI=1S/C17H16N4O2/c1-23-17(22)12-7-8-14(13(18)9-12)19-16-10-15(20-21-16)11-5-3-2-4-6-11/h2-10H,18H2,1H3,(H2,19,20,21)
InChIKey IZRMDERMBRRYQL-UHFFFAOYSA-N
Molecular Weight 308.341 g/mol
SMILES [nH]1nc(cc1-c1ccccc1)Nc1c(cc(cc1)C(=O)OC)N
SPLASH splash10-0a4i-0029000000-c0046fa7a9053a7a606c
Source of Spectrum F4-40-390-7a
Wiley ID 1670283
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