Debug Info

object
{15}
_id
:
9JVTOKXTvm3
spectrumID
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9JVTOKXTvm3
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:401133:1
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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lastUpdated
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1735074081058
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false

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(R)-3,3,3-trifluoro-2-((4-methoxyphenyl)amino)-2-(m-tolyl)propanenitrile
SpectraBase Compound ID GhgPbwKzE7W
InChI InChI=1S/C17H15F3N2O/c1-12-4-3-5-13(10-12)16(11-21,17(18,19)20)22-14-6-8-15(23-2)9-7-14/h3-10,22H,1-2H3/t16-/m0/s1
InChIKey JCGYUZLKPVSGGE-INIZCTEOSA-N
Mol Weight 320.32 g/mol
Molecular Formula C17H15F3N2O
Exact Mass 320.113648 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9JVTOKXTvm3
Name (R)-3,3,3-trifluoro-2-((4-methoxyphenyl)amino)-2-(m-tolyl)propanenitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15F3N2O
InChI InChI=1S/C17H15F3N2O/c1-12-4-3-5-13(10-12)16(11-21,17(18,19)20)22-14-6-8-15(23-2)9-7-14/h3-10,22H,1-2H3/t16-/m0/s1
InChIKey JCGYUZLKPVSGGE-INIZCTEOSA-N
Literature Reference DOI 10.1021/ol201316z
Molecular Weight 320.315 g/mol
SMILES N([C@@](C(F)(F)F)(C#N)c1cc(ccc1)C)c1ccc(cc1)OC
SPLASH splash10-00di-3900000000-400fe2ae06c83597503c
Source of Spectrum A1-13-3826/SM25-6c
Wiley ID 1753479
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