13C NMR Spectrum (1D, 200 MHz, H2O, predicted) (FDB022648) - FooDB

Spectrum Details

FooDB ID:	FDB022648
Compound name:	Acetoacetyl-CoA
Spectrum type:	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)

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MMDBc0029658

Assignment Table
Row No.	Cluster Midpoint	No. Peaks	Coupling Type	No. C's	Atom No.		Peak Centers (ppm)
1	196.54	1	s	1	5	+	196.54
2	174.90	1	s	1	16	+	174.90
3	168.70	1	s	1	11	+	168.70
4	155.69	1	s	1	41	+	155.69
5	152.49	1	s	1	44	+	152.49
6	149.46	1	s	1	46	+	149.46
7	141.27	1	s	1	38	+	141.27
8	119.65	1	s	1	40	+	119.65
9	88.48	1	s	1	36	+	88.48
10	77.65	1	s	1	34	+	77.65
11	76.36	1	s	1	18	+	76.36
12	73.31	1	s	1	47	+	73.31
13	72.84	1	s	1	49	+	72.84
14	70.96	1	s	1	23	+	70.96
15	64.69	1	s	1	33	+	64.69
16	58.90	1	s	1	4	+	58.90
17	39.56	1	s	1	20	+	39.56
18	39.50	1	s	1	9	+	39.50
19	36.40	1	s	1	14	+	36.40
20	35.28	1	s	1	13	+	35.28
21	29.40	1	s	1	1	+	29.40
22	29.30	1	s	1	8	+	29.30
23	21.28	1	s	2	21 22	+	21.28

Experimental Conditions

Solvent:	H₂O
Nucleus:	¹³C
Frequency:	200 MHz

Documentation

Document Description	Download	File Size
Peak List (TXT)	Download file	1.24 KB
Peak Assignments (TXT)	Download file	1.24 KB
Spectra Image with Peak Assignments	Not Available	Not Available
Raw Spectrum Image	Not Available	Not Available
nmrML File (NMRML)	Download file	564 KB
JCAMP-DX File (JDX)	Download file	157 KB
Raw Free Induction Decay file for spectral processing	Not Available	Not Available
Validation Report	Not Available	Not Available

References

Not Available