Debug Info

object
{15}
_id
:
KkTAQxV4ufA
spectrumID
:
KkTAQxV4ufA
cost
:
1
specType
:
131072
xnmrNucleus
:
0
dbLocation
:
WMS3X:325556:1
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
ADVERTISEMENT

2-[1-(2-Oxocyclohexyl)but-3-en-2-yl]propanedioic acid dimethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-[1-(2-Oxocyclohexyl)but-3-en-2-yl]propanedioic acid dimethyl ester
SpectraBase Compound ID 7Mtl1QRCPH2
InChI InChI=1S/C15H22O5/c1-4-10(9-11-7-5-6-8-12(11)16)13(14(17)19-2)15(18)20-3/h4,10-11,13H,1,5-9H2,2-3H3
InChIKey COGMDNUOPLUUQU-UHFFFAOYSA-N
Mol Weight 282.34 g/mol
Molecular Formula C15H22O5
Exact Mass 282.146724 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 KkTAQxV4ufA
Name 2-[1-(2-oxocyclohexyl)but-3-en-2-yl]propanedioic acid dimethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O5
InChI InChI=1S/C15H22O5/c1-4-10(9-11-7-5-6-8-12(11)16)13(14(17)19-2)15(18)20-3/h4,10-11,13H,1,5-9H2,2-3H3
InChIKey COGMDNUOPLUUQU-UHFFFAOYSA-N
Molecular Weight 282.336 g/mol
SMILES C(C(CC1C(=O)CCCC1)C=C)(C(=O)OC)C(=O)OC
SPLASH splash10-0002-9600000000-cad1ebc6be5bd7d6769f
Source of Spectrum J-60-4957-5
Synonyms 2-[1-[(2-ketocyclohexyl)methyl]allyl]malonic acid dimethyl ester Dimethyl 2-[1-(2-oxidanylidenecyclohexyl)but-3-en-2-yl]propanedioate Dimethyl 2-[1-(2-oxocyclohexyl)but-3-en-2-yl]propanedioate Dimethyl 2-[1-[(2-oxocyclohexyl)methyl]allyl]propanedioate
Wiley ID 1285826
ADVERTISEMENT
ADVERTISEMENT