Debug Info

object
{15}
_id
:
5vX0Dvjqmg7
spectrumID
:
5vX0Dvjqmg7
cost
:
1
specType
:
131072
xnmrNucleus
:
0
dbLocation
:
WMS3X:277461:1
hasStructureAssignments
:
false
properties
{11}
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
3-(1-Phenylthiobutyl)-2-cyclohexen-1-one
SpectraBase Compound ID KEtRwqepXWO
InChI InChI=1S/C16H20OS/c1-2-7-16(13-8-6-9-14(17)12-13)18-15-10-4-3-5-11-15/h3-5,10-12,16H,2,6-9H2,1H3
InChIKey SEPWLUFZSPQRFQ-UHFFFAOYSA-N
Mol Weight 260.39 g/mol
Molecular Formula C16H20OS
Exact Mass 260.123486 g/mol

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 5vX0Dvjqmg7
Name 3-(1-Phenylthiobutyl)-2-cyclohexen-1-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20OS
InChI InChI=1S/C16H20OS/c1-2-7-16(13-8-6-9-14(17)12-13)18-15-10-4-3-5-11-15/h3-5,10-12,16H,2,6-9H2,1H3
InChIKey SEPWLUFZSPQRFQ-UHFFFAOYSA-N
Molecular Weight 260.395 g/mol
SMILES C1(=CC(=O)CCC1)C(Sc1ccccc1)CCC
SPLASH splash10-0il0-8950000000-b0f7d0e76c6a2c1a2652
Source of Spectrum F-48-2036-10
Synonyms 3-[1-(phenylsulfanyl)butyl]-2-cyclohexen-1-one
Wiley ID 1263974