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Spectrum Details
HMDB ID:HMDB0000543
Compound name:Benzenebutanoic acid
Spectrum type:1H NMR Spectrum (1D, 500 MHz, CDCl3, 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
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Experimental Conditions
Sample Concentration:43.0 mM
Solvent:CDCl3
Sample Assessment:Excellent
Spectrum Assessment:Excellent
Instrument Type:Varian
Nucleus:1H
Frequency:500 MHz
Sample pH:Not Applic
Sample Temperature:25.0 Celsius
Chemical Shift Reference:CHCl3
Documentation
Document DescriptionDownloadFile Size
List of chemical shift values for the spectrum (TXT)Download file978 Bytes
Peak Assignments (PNG)Download file119 KB
Spectra Image with Peak Assignments (PNG)Download file119 KB
Raw Spectrum Image (PNG)Download file9.32 KB
nmrML File (NMRML)Download file1.34 MB
JCAMP-DX File (JDX)Download file80.1 KB
Raw Free Induction Decay (FID) File for Spectral Processing (Varian) (ZIP)Download file182 KB
Validation Report (TAR)Download file22 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 ]
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