Spectrum Details
T3DB ID:T3D4589
Compound name:Butanone
Spectrum type:1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
Spectrum View
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Experimental Conditions
Solvent:CDCl3
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:CHCl3
Documentation
Document DescriptionDownloadFile Size
List of chemical shift values for the spectrum (TXT)Download file561 Bytes
Peak Assignments (PNG)Download file111 KB
Spectra Image with Peak Assignments (PNG)Download file111 KB
Raw Spectrum ImageNot AvailableNot Available
nmrML File (NMRML)Download file1.34 MB
JCAMP-DX File (JDX)Download file75.5 KB
Raw Free Induction Decay (FID) File for Spectral Processing (Varian) (ZIP)Download file101 KB
Validation Report (TAR)Download file21.5 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 ]