Debug Info

object
{15}
_id
:
4WhQbQVdWzg
spectrumID
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4WhQbQVdWzg
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:352196:1
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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compound
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lastUpdated
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1735074081058
isDeprecated
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false

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(3-Fluoro-2-nitrobenzyl) Phenyl Sulfone
SpectraBase Compound ID 5lxdw26eatI
InChI InChI=1S/C13H10FNO4S/c14-12-8-4-5-10(13(12)15(16)17)9-20(18,19)11-6-2-1-3-7-11/h1-8H,9H2
InChIKey JCQYXCGHIPJKHJ-UHFFFAOYSA-N
Mol Weight 295.28 g/mol
Molecular Formula C13H10FNO4S
Exact Mass 295.031457 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4WhQbQVdWzg
Name (3-Fluoro-2-nitrobenzyl) Phenyl Sulfone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10FNO4S
InChI InChI=1S/C13H10FNO4S/c14-12-8-4-5-10(13(12)15(16)17)9-20(18,19)11-6-2-1-3-7-11/h1-8H,9H2
InChIKey JCQYXCGHIPJKHJ-UHFFFAOYSA-N
Molecular Weight 295.284 g/mol
SMILES C(S(=O)(=O)c1ccccc1)c1c(N(=O)=O)c(F)ccc1
SPLASH splash10-0ufr-9600000000-15b9f993fba28ce68a3f
Source of Spectrum QE-14-11121-A
Wiley ID 1692506
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