2-METHYL-3-HEPTANONE(13019-20-0) 1H NMR
Molecular FormulaC8H16O
Molecular Weight128.21
InChIInChI=1S/C8H16O/c1-4-5-6-8(9)7(2)3/h7H,4-6H2,1-3H3
InChIKey XYYMFUCZDNNGFS-UHFFFAOYSA-N
SmilesCC(C)C(=O)CCCC
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![](https://www.chemicalbook.com/Spectrum/13019-20-0_1HNMR_0.jpg)
Assign. Shift(ppm)
A 2.53
B 2.44
C 1.56
D 1.35
E 1.089
F 0.92
Spectral Code: 1H NMR : 90 MHz in CDCl3
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![](https://www.chemicalbook.com/Spectrum/13019-20-0_13CNMR_0.jpg)
ppm Int. Assign.
214.87 222 1
40.88 649 2 *
40.12 654 3 *
26.05 600 4
22.53 503 5
18.29 1000 6
13.90 519 7
Spectral Code: 13C NMR : in CDCl3
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![](https://www.chemicalbook.com/Spectrum/13019-20-0_IR1_0.jpg)
Spectral Code: IR : liquid film
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![](https://www.chemicalbook.com/Spectrum/13019-20-0_Raman_0.jpg)
Spectral Code: Raman : 4880 A,200 M,liquid