4-Dodecanone(6137-26-4) IR1
Product Name4-Dodecanone
CAS6137-26-4
Molecular FormulaC12H24O
Molecular Weight184.32
InChIInChI=1S/C12H24O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h3-11H2,1-2H3
InChIKey AVQSOIZWTINZLU-UHFFFAOYSA-N
SmilesCCCC(=O)CCCCCCCC
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Assign. Shift(ppm)
A 2.37 B 1.58 C 1.56 D 1.27 E 0.91 F 0.88Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
211.06 317 1 44.75 601 2 42.88 623 3 31.93 601 4 29.42 1000 5 * 29.25 749 6 * 23.98 667 7 22.72 634 8 17.41 645 9 14.07 563 10 13.80 585 11Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film