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2-METHYL-3-HEPTANONE(13019-20-0) 1H NMR
Product Name2-METHYL-3-HEPTANONE
CAS13019-20-0
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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Assign. Shift(ppm)
A 2.53 B 2.44 C 1.56 D 1.35 E 1.089 F 0.92Spectral Code: 1H NMR : 90 MHz in CDCl3
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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 7Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
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Spectral Code: Raman : 4880 A,200 M,liquid