Debug Info

object
{15}
_id
:
3EKLfJjKAtD
spectrumID
:
3EKLfJjKAtD
cost
:
1
specType
:
131072
xnmrNucleus
:
0
dbLocation
:
WMS3X:623306:1
hasStructureAssignments
:
false
properties
{18}
analyticalTechnique
:
MS (GC)
analyticalTechniqueLongName
:
Mass Spectrum (GC)
isFullSpectrum
:
false
spectralOutlier
:
false
compound
{10}
lastUpdated
:
1735074081058
isDeprecated
:
false

Logged In :

Authorized Features

  • None
  • DataFullSpectraPoints
  • DataReadAll
  • DataReportGeneration
  • ExportCompound
  • ExportStructure
  • ExportSpectrum
  • ImageFullMS
  • ImageHighRes
  • ImageFullAxis
  • SearchSpectral
  • SearchStructure
ADVERTISEMENT
N-(benzyloxy)-2-((4-chlorophenyl)sulfinyl)-2-methylpropanamide
SpectraBase Compound ID 1liCGIzQavR
InChI InChI=1S/C17H18ClNO3S/c1-17(2,23(21)15-10-8-14(18)9-11-15)16(20)19-22-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,19,20)
InChIKey BSLNXLPARWDKAN-UHFFFAOYSA-N
Mol Weight 351.85 g/mol
Molecular Formula C17H18ClNO3S
Exact Mass 351.069592 g/mol
ADVERTISEMENT

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3EKLfJjKAtD
Name N-(benzyloxy)-2-((4-chlorophenyl)sulfinyl)-2-methylpropanamide
Appearance White solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.069592315 u
Formula C17H18ClNO3S
InChI InChI=1S/C17H18ClNO3S/c1-17(2,23(21)15-10-8-14(18)9-11-15)16(20)19-22-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,19,20)
InChIKey BSLNXLPARWDKAN-UHFFFAOYSA-N
Instrument Name Water Q-ToF-Micro Micromass
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.2c02274
Molecular Weight 351.848 g/mol
Quality 13
Reported Formula C17H18NO3SCl
SMILES N(C(C(S(C=1C=CC(=CC1)Cl)=O)(C)C)=O)OCC1=CC=CC=C1
SPLASH splash10-0006-0910000000-c7aa843261df3d12983d
Source of Spectrum JOC-88-SM26-9 (DOI: 10.1021/acs.joc.2c02274)
Thin-Layer Chromatography 0.4 (EtOAc/hexanes, 25:75)
Wiley ID 1912626
ADVERTISEMENT