Spectrum Details
BMDB ID:BMDB0005994
Compound name:Hexanal
Spectrum type:1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
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Experimental Conditions
Sample Concentration:50.0 mM
Solvent:CDCl3
Sample Mass:5.0 mg
Sample Assessment:Excellent
Spectrum Assessment:Excellent
Instrument Type:Bruker
Nucleus:1H
Frequency:600 MHz
Sample pH:Not Applic
Sample Temperature:25.0 Celsius
Chemical Shift Reference:TMS
Documentation
Document DescriptionDownloadFile Size
List of chemical shift values for the spectrum (TXT)Download file941 Bytes
Peak Assignments (PNG)Download file121 KB
Spectra Image with Peak Assignments (PNG)Download file121 KB
Raw Spectrum Image (PNG)Download file6.67 KB
nmrML FileNot AvailableNot Available
JCAMP-DX File (JDX)Download file980 KB
Raw Free Induction Decay (FID) File for Spectral Processing (Bruker) (ZIP)Download file147 KB
Validation ReportNot AvailableNot Available
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 ]