Beta-Damascone(35044-68-9) IR1
Product NameBeta-Damascone
CAS35044-68-9
Molecular FormulaC13H20O
Molecular Weight192.3
InChIInChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3
InChIKey BGTBFNDXYDYBEY-UHFFFAOYSA-N
SmilesC(C1C(C)(C)CCCC=1C)(=O)C=CC
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Assign. Shift(ppm)
A 6.710 B 6.156 C 1.97 D 1.916 E 1.90 to 1.33 F 1.511 G 1.023 J(A,B)=15.7HZ. J(A,D)=6.7HZ. J(B,D)=1.5HZ.Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
201.91 221 1 145.32 402 2 140.51 219 3 134.72 448 4 130.40 320 5 38.98 446 6 33.46 407 7 31.27 506 8 28.91 1000 9 21.29 478 10 19.04 501 11 18.25 370 12Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
