Debug Info

object
{15}
_id
:
9Nh57uil0dw
spectrumID
:
9Nh57uil0dw
cost
:
1
specType
:
131072
xnmrNucleus
:
0
dbLocation
:
WMS3X:328019:1
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
2-Naphthalenebutanoic acid, .gamma.-cyano-1,4-dihydro-3-methyl-1,4-dioxo-
SpectraBase Compound ID A32VDMZE36J
InChI InChI=1S/C16H13NO4/c1-9-14(10(8-17)6-7-13(18)19)16(21)12-5-3-2-4-11(12)15(9)20/h2-5,10H,6-7H2,1H3,(H,18,19)
InChIKey KQNCRXNTDRRNSR-UHFFFAOYSA-N
Mol Weight 283.28 g/mol
Molecular Formula C16H13NO4
Exact Mass 283.084458 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 9Nh57uil0dw
Name 2-Naphthalenebutanoic acid, .gamma.-cyano-1,4-dihydro-3-methyl-1,4-dioxo-
CAS Registry Number 56051-45-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO4
InChI InChI=1S/C16H13NO4/c1-9-14(10(8-17)6-7-13(18)19)16(21)12-5-3-2-4-11(12)15(9)20/h2-5,10H,6-7H2,1H3,(H,18,19)
InChIKey KQNCRXNTDRRNSR-UHFFFAOYSA-N
Molecular Weight 283.283 g/mol
SMILES OC(CCC(C#N)C1=C(C)C(c2ccccc2C1=O)=O)=O
SPLASH splash10-03dr-1590000000-1efcdcd5a02a61a98d3b
Source of Spectrum AI-306-708-1
Synonyms 4-Cyano-4-(3-methyl-1,4-dioxo-1,4-dihydro-2-naphthalenyl)butanoic acid 4-cyano-4-(1,4-diketo-3-methyl-2-naphthyl)butyric acid 4-cyano-4-(3-methyl-1,4-dioxo-2-naphthalenyl)butanoic acid 4-cyano-4-(3-methyl-1,4-dioxo-2-naphthyl)butanoic acid 4-cyano-4-(3-methyl-1,4-dioxonaphthalen-2-yl)butanoic acid 4-cyano-4-[3-methyl-1,4-bis(oxidanylidene)naphthalen-2-yl]butanoic acid
Wiley ID 1286948
ADVERTISEMENT