Spectrum Details
BMDB ID:BMDB0000060
Compound name:Acetoacetic acid
Spectrum type:1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
Spectrum View
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Experimental Conditions
Sample Concentration:24.0 mM
Solvent:Water
Sample Mass:1.7 mg
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 file313 Bytes
Peak Assignments (PNG)Download file94.9 KB
Spectra Image with Peak Assignments (PNG)Download file94.9 KB
Raw Spectrum ImageNot AvailableNot Available
nmrML File (NMRML)Download file1.34 MB
JCAMP-DX File (JDX)Download file74.7 KB
Raw Free Induction Decay (FID) File for Spectral Processing (Varian) (ZIP)Download file182 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 ]