Debug Info

object
{15}
_id
:
Jlp8dJDoZ6s
spectrumID
:
Jlp8dJDoZ6s
cost
:
1
specType
:
131072
xnmrNucleus
:
0
dbLocation
:
WMS3X:344865:1
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
Ethyl 3-(2-Isocyanatophenylethynyl)benzoate
SpectraBase Compound ID Ib3XpU0foTz
InChI InChI=1S/C18H13NO3/c1-2-22-18(21)16-8-5-6-14(12-16)10-11-15-7-3-4-9-17(15)19-13-20/h3-9,12H,2H2,1H3
InChIKey KMWGBBRXHCEYJD-UHFFFAOYSA-N
Mol Weight 291.31 g/mol
Molecular Formula C18H13NO3
Exact Mass 291.089543 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 Jlp8dJDoZ6s
Name Ethyl 3-(2-Isocyanatophenylethynyl)benzoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13NO3
InChI InChI=1S/C18H13NO3/c1-2-22-18(21)16-8-5-6-14(12-16)10-11-15-7-3-4-9-17(15)19-13-20/h3-9,12H,2H2,1H3
InChIKey KMWGBBRXHCEYJD-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol9014877
Molecular Weight 291.306 g/mol
SMILES c1cc(C#Cc2cc(ccc2)C(=O)OCC)c(cc1)N=C=O
SPLASH splash10-0006-0290000000-e207991e331846458c9d
Source of Spectrum A1-11-4262/SMS15-1j
Synonyms Ethyl 3-((2-isocyanatophenyl)ethynyl)benzoate
Wiley ID 1757157
ADVERTISEMENT