(S)-(-)-1-Phenylethyl isocyanate(14649-03-7) IR1
Product Name(S)-(-)-1-Phenylethyl isocyanate
CAS14649-03-7
Molecular FormulaC9H9NO
Molecular Weight147.17
InChIInChI=1S/C9H9NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3/t8-/m0/s1
InChIKey JJSCUXAFAJEQGB-QMMMGPOBSA-N
SmilesC1([C@@H](N=C=O)C)=CC=CC=C1
90 MHz in CDCl3
-
1H NMR 89.56 MHz C9 H9 N O 0.05 ml : 0.5 ml CDCl3 (S)-(-)-alpha-methylbenzyl isocyanate 
Assign. Shift(ppm)
A 7.30 B 4.683 C 1.536
Hz ppm Int.660.56 7.376 28 660.44 7.375 28 654.94 7.313 235 653.25 7.294 1000 430.19 4.804 32 423.38 4.728 100 416.69 4.653 106 409.94 4.578 39 141.19 1.577 577 134.50 1.502 550
in CDCl3
liquid film
