Debug Info

object
{15}
_id
:
DhWLpRrbNB2
spectrumID
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DhWLpRrbNB2
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WMS3X:451041:1
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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false
spectralOutlier
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false
compound
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lastUpdated
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1735074081058
isDeprecated
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false

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3H-1,2,4-Triazolo[4,3-b][1,2,4]triazole-3-thione, 2,7-dihydro-2-methyl-7-(4-methylphenyl)-6-[(4-methylphenyl)amino]-
SpectraBase Compound ID 7y4CZfwAXgq
InChI InChI=1S/C18H18N6S/c1-12-4-8-14(9-5-12)19-16-20-24-17(21-22(3)18(24)25)23(16)15-10-6-13(2)7-11-15/h4-11H,1-3H3,(H,19,20)
InChIKey JRWBTDKQKHGYCH-UHFFFAOYSA-N
Mol Weight 350.44 g/mol
Molecular Formula C18H18N6S
Exact Mass 350.131366 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DhWLpRrbNB2
Name 3H-1,2,4-Triazolo[4,3-b][1,2,4]triazole-3-thione, 2,7-dihydro-2-methyl-7-(4-methylphenyl)-6-[(4-methylphenyl)amino]-
CAS Registry Number 116088-33-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N6S
InChI InChI=1S/C18H18N6S/c1-12-4-8-14(9-5-12)19-16-20-24-17(21-22(3)18(24)25)23(16)15-10-6-13(2)7-11-15/h4-11H,1-3H3,(H,19,20)
InChIKey JRWBTDKQKHGYCH-UHFFFAOYSA-N
Molecular Weight 350.444 g/mol
SMILES N(C1=NN2C(N1c1ccc(cc1)C)=NN(C2=S)C)c1ccc(cc1)C
SPLASH splash10-0udi-0449000000-c9f5f043154c536c0382
Source of Spectrum KC-1987-2671-18
Synonyms 2-Methyl-7-(4-methylphenyl)-6-(4-toluidino)-2,7-dihydro-3H-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3-thione 7-(4-Tolyl)-6-(4-tolyl)amino-2-methyltriazolo-triazolethione
Wiley ID 1341847
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