Debug Info

object
{15}
_id
:
rSHVpdEL42
spectrumID
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rSHVpdEL42
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:376750:1
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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3-(4-Methylphenyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-1,2,4-oxadiazole
SpectraBase Compound ID JMEOjWdhW3Y
InChI InChI=1S/C17H13N3O3/c1-12-2-7-14(8-3-12)17-18-16(23-19-17)11-6-13-4-9-15(10-5-13)20(21)22/h2-11H,1H3/b11-6+
InChIKey NJJIINJOKACZEJ-IZZDOVSWSA-N
Mol Weight 307.31 g/mol
Molecular Formula C17H13N3O3
Exact Mass 307.095691 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rSHVpdEL42
Name 3-(4-Methylphenyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-1,2,4-oxadiazole
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13N3O3
InChI InChI=1S/C17H13N3O3/c1-12-2-7-14(8-3-12)17-18-16(23-19-17)11-6-13-4-9-15(10-5-13)20(21)22/h2-11H,1H3/b11-6+
InChIKey NJJIINJOKACZEJ-IZZDOVSWSA-N
Molecular Weight 307.309 g/mol
SMILES c1(nc(on1)\C=C\c1ccc(N(=O)=O)cc1)-c1ccc(cc1)C
SPLASH splash10-0a59-3809000000-377f41f5ba5f4d0fd891
Source of Spectrum O1-46-681-2c
Wiley ID 1669220
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