Debug Info

object
{15}
_id
:
eM2AlkYHLY
spectrumID
:
eM2AlkYHLY
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WMS3X:575692:1
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
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false

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6-(4-Chlorophenylhydrazono)-1,3-diphenyl-7-methyl-1H-pyrazolo[3',4':4,5]pyrimido[1,6-b][1,2,4]triazepin-5(6H)-one
SpectraBase Compound ID 7pSg7n6p1Pf
InChI InChI=1S/C27H19ClN8O/c1-17-23(32-31-20-14-12-19(28)13-15-20)27(37)30-26-22-24(18-8-4-2-5-9-18)34-36(21-10-6-3-7-11-21)25(22)29-16-35(26)33-17/h2-16,31H,1H3/b32-23+
InChIKey OLNUTDCFNBSEBA-AWSUPERCSA-N
Mol Weight 506.96 g/mol
Molecular Formula C27H19ClN8O
Exact Mass 506.137035 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID eM2AlkYHLY
Name 6-(4-Chlorophenylhydrazono)-1,3-diphenyl-7-methyl-1H-pyrazolo[3',4':4,5]pyrimido[1,6-b][1,2,4]triazepin-5(6H)-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H19ClN8O
InChI InChI=1S/C27H19ClN8O/c1-17-23(32-31-20-14-12-19(28)13-15-20)27(37)30-26-22-24(18-8-4-2-5-9-18)34-36(21-10-6-3-7-11-21)25(22)29-16-35(26)33-17/h2-16,31H,1H3/b32-23+
InChIKey OLNUTDCFNBSEBA-AWSUPERCSA-N
Molecular Weight 506.957 g/mol
SMILES N(\N=C\1C(N=C2c3c([n](-c4ccccc4)nc3-c3ccccc3)N=CN2N=C1C)=O)c1ccc(cc1)Cl
SPLASH splash10-0a4i-0226090000-66dd2b2660069d98db1a
Source of Spectrum F-65-646-5e
Wiley ID 1712729
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