Debug Info

object
{15}
_id
:
J3R8NlkTMQR
spectrumID
:
J3R8NlkTMQR
cost
:
1
specType
:
131072
xnmrNucleus
:
0
dbLocation
:
WMS3X:620978:1
hasStructureAssignments
:
false
properties
{17}
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
Methyl 4-(5,5-dimethyl-1,3-dioxan-2-yl)benzoate
SpectraBase Compound ID KZi5L5OqfFd
InChI InChI=1S/C14H18O4/c1-14(2)8-17-13(18-9-14)11-6-4-10(5-7-11)12(15)16-3/h4-7,13H,8-9H2,1-3H3
InChIKey DSOROOVTTRZHBB-UHFFFAOYSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 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 J3R8NlkTMQR
Name Methyl 4-(5,5-dimethyl-1,3-dioxan-2-yl)benzoate
Appearance White solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.120509056 u
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-14(2)8-17-13(18-9-14)11-6-4-10(5-7-11)12(15)16-3/h4-7,13H,8-9H2,1-3H3
InChIKey DSOROOVTTRZHBB-UHFFFAOYSA-N
Instrument Name HP 5890 GC-5989B MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.202300820
Molecular Weight 250.294 g/mol
Quality 204
SMILES COC(C1=CC=C(C=C1)C1OCC(CO1)(C)C)=O
SPLASH splash10-0cdj-2930000000-10a5f96ecb3392c19eb1
Source of Spectrum QE-29-SM15-2o (DOI: 10.1002/chem.202300820)
Thin-Layer Chromatography 0.60 (PE/EtOAc, 9:1)
Wiley ID 1910298
ADVERTISEMENT