Debug Info

object
{15}
_id
:
9lbEugrXAoP
spectrumID
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9lbEugrXAoP
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMSL3X:126059:1
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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2-Methoxy-6-nitro-3-(phenylsulfinylmethyl)quinoline
SpectraBase Compound ID CcAGA0oOCIT
InChI InChI=1S/C17H14N2O4S/c1-23-17-13(11-24(22)15-5-3-2-4-6-15)9-12-10-14(19(20)21)7-8-16(12)18-17/h2-10H,11H2,1H3
InChIKey AFQFVQFWEDWKFB-UHFFFAOYSA-N
Mol Weight 342.37 g/mol
Molecular Formula C17H14N2O4S
Exact Mass 342.067428 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9lbEugrXAoP
Name 2-Methoxy-6-nitro-3-(phenylsulfinylmethyl)quinoline
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N2O4S
InChI InChI=1S/C17H14N2O4S/c1-23-17-13(11-24(22)15-5-3-2-4-6-15)9-12-10-14(19(20)21)7-8-16(12)18-17/h2-10H,11H2,1H3
InChIKey AFQFVQFWEDWKFB-UHFFFAOYSA-N
Molecular Weight 342.369 g/mol
SMILES c1(N(=O)=O)cc2cc(CS(=O)c3ccccc3)c(nc2cc1)OC
SPLASH splash10-014r-0893000000-f272744d748b51dbb79a
Source of Spectrum F-65-9622-10c
Wiley ID 1678799
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