Debug Info

object
{15}
_id
:
5cMolvtGdZ6
spectrumID
:
5cMolvtGdZ6
cost
:
1
specType
:
131072
xnmrNucleus
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0
dbLocation
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WMS3X:549091:1
hasStructureAssignments
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false
properties
{10}
analyticalTechnique
:
MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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false
spectralOutlier
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false
compound
{10}
lastUpdated
:
1735074081058
isDeprecated
:
false

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(R)-N-(4-Nitrobenzenesulfonyl Methyl n-Tridecyl) Sulfoximine
SpectraBase Compound ID 5bBViEDwtPN
InChI InChI=1S/C20H34N2O5S2/c1-3-4-5-6-7-8-9-10-11-12-13-18-28(2,25)21-29(26,27)20-16-14-19(15-17-20)22(23)24/h14-17H,3-13,18H2,1-2H3
InChIKey PTDSNADQNOKQBG-UHFFFAOYSA-N
Mol Weight 446.6 g/mol
Molecular Formula C20H34N2O5S2
Exact Mass 446.190915 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5cMolvtGdZ6
Name (R)-N-(4-Nitrobenzenesulfonyl Methyl n-Tridecyl) Sulfoximine
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34N2O5S2
InChI InChI=1S/C20H34N2O5S2/c1-3-4-5-6-7-8-9-10-11-12-13-18-28(2,25)21-29(26,27)20-16-14-19(15-17-20)22(23)24/h14-17H,3-13,18H2,1-2H3
InChIKey PTDSNADQNOKQBG-UHFFFAOYSA-N
Molecular Weight 446.621 g/mol
SMILES C(S(=NS(c1ccc(N(=O)=O)cc1)(=O)=O)(=O)C)CCCCCCCCCCCC
SPLASH splash10-0002-6550900000-0fc84e7666a07930f626
Source of Spectrum F4-43-3831-7c
Wiley ID 1706677
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