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3,5,5-TRIMETHYLHEXANAL(5435-64-3) IR1
Product Name3,5,5-TRIMETHYLHEXANAL
CAS5435-64-3
Molecular FormulaC9H18O
Molecular Weight142.24
InChIInChI=1S/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3
InChIKey WTPYRCJDOZVZON-UHFFFAOYSA-N
SmilesC(=O)CC(C)CC(C)(C)C
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Assign. Shift(ppm)
A 9.738 B 2.63 to 1.88 C *1 1.24 D *1 1.16 E 1.02 F 0.923Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
202.71 209 1 53.26 443 2 50.82 423 3 31.18 353 4 29.98 1000 5 24.73 443 6 22.89 393 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
