Hmdb loader
Spectrum Details
HMDB ID:HMDB0000753
Compound name:3-Hexanone
Spectrum type:1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
Disclaimer:While we have made our best-effort to label most spectral peaks, certain spectral features may not be fully annotated in all NMR spectra
Spectrum View
Spectra Viewer Instructions...

Experimental Conditions
Solvent:Water
Sample Assessment:Excellent
Spectrum Assessment:Excellent
Instrument Type:Varian
Nucleus:1H
Frequency:500 MHz
Sample pH:7.00
Sample Temperature:25.0 Celsius
Chemical Shift Reference:DSS
Documentation
Document DescriptionDownloadFile Size
List of chemical shift values for the spectrum (TXT)Download file874 Bytes
Peak Assignments (PNG)Download file116 KB
Spectra Image with Peak Assignments (PNG)Download file116 KB
Raw Spectrum Image (GIF)Download file7.87 KB
nmrML File (NMRML)Download file1.34 MB
JCAMP-DX File (JDX)Download file78.6 KB
Raw Free Induction Decay (FID) File for Spectral Processing (Varian) (FID20121204-87231-ZDY4UV)Download file128 KB
Validation Report (TAR)Download file21 KB
References
  1. Wishart DS, Knox C, Guo AC, Eisner R, Young N, Gautam B, Hau DD, Psychogios N, Dong E, Bouatra S, Mandal R, Sinelnikov I, Xia J, Jia L, Cruz JA, Lim E, Sobsey CA, Shrivastava S, Huang P, Liu P, Fang L, Peng J, Fradette R, Cheng D, Tzur D, Clements M, Lewis A, De Souza A, Zuniga A, Dawe M, Xiong Y, Clive D, Greiner R, Nazyrova A, Shaykhutdinov R, Li L, Vogel HJ, Forsythe I: HMDB: a knowledgebase for the human metabolome. Nucleic Acids Res. 2009 Jan;37(Database issue):D603-10. doi: 10.1093/nar/gkn810. Epub 2008 Oct 25. [PubMed: 18953024 ]
  2. Error displaying reference