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n-Pentadecylcyclohexane(6006-95-7) 1H NMR
Product Namen-Pentadecylcyclohexane
CAS6006-95-7
Molecular FormulaC21H42
Molecular Weight294.56
InChIInChI=1S/C21H42/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21/h21H,2-20H2,1H3
InChIKey ZNUABQHWFGTOCO-UHFFFAOYSA-N
SmilesC1(CCCCCCCCCCCCCCC)CCCCC1
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Assign. Shift(ppm)
A 1.84 to 1.45 B 1.26 C 1.45 to 1.01 D 0.88 E 1.01 to 0.67Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
37.82 190 1 * 37.69 163 2 * 33.58 272 3 32.05 141 4 30.14 245 5 29.83 1000 6 29.50 168 7 27.01 168 8 # 26.90 168 9 # 26.57 255 10 22.80 125 11 14.15 114 12Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film