Debug Info

object
{15}
_id
:
LSJ6y5XJ6le
spectrumID
:
LSJ6y5XJ6le
cost
:
1
specType
:
131072
xnmrNucleus
:
0
dbLocation
:
WMS3X:151644:1
hasStructureAssignments
:
false
properties
{12}
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
(3E)-4-[trans-4',4',5'-trimethyl-2'-methylidenecyclohex-1'-yl]but-3-en-2-one
SpectraBase Compound ID 1CNivMRPng7
InChI InChI=1S/C14H22O/c1-10-9-14(4,5)11(2)8-13(10)7-6-12(3)15/h6-7,11,13H,1,8-9H2,2-5H3/b7-6+/t11-,13-/m1/s1
InChIKey MWXJUILWHHJPOB-BKVNPXPRSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 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 LSJ6y5XJ6le
Name (3E)-4-[trans-4',4',5'-trimethyl-2'-methylidenecyclohex-1'-yl]but-3-en-2-one
CAS Registry Number 127128-62-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O
InChI InChI=1S/C14H22O/c1-10-9-14(4,5)11(2)8-13(10)7-6-12(3)15/h6-7,11,13H,1,8-9H2,2-5H3/b7-6+/t11-,13-/m1/s1
InChIKey MWXJUILWHHJPOB-BKVNPXPRSA-N
Molecular Weight 206.329 g/mol
SMILES C1([C@](\C=C\C(=O)C)(C[C@](C(C1)(C)C)(C)[H])[H])=C
SPLASH splash10-052f-9600000000-55e49c1e15fcb1398ef0
Source of Spectrum H-72-1519-6
Synonyms (3E)-4-[(1S,5R)-4,4,5-trimethyl-2-methylenecyclohexyl]-3-buten-2-one
Wiley ID 1205200
ADVERTISEMENT