N-氯乙酰-D-苯丙氨酸(137503-97-0)核磁图(13CNMR)
分子式:C11H12ClNO3
分子量: 241.67
InChI:InChI=1S/C11H12ClNO3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)(H,15,16)/t9-/m1/s1
InChIKey: FUHGSOAURCZWCC-SECBINFHSA-N
Smiles:C(O)(=O)[C@@H](CC1=CC=CC=C1)NC(CCl)=O
-
Assign. Shift(ppm)
A 7.33
B 7.29
C 7.181
D 6.97
E 4.895
F 4.7
G *1 4.049
J *1 4.036
K *2 3.244
L *2 3.181
J(D,E)=5.6HZ
J(J,G)=-15.4HZ
J(K,L)=-14.2HZ
J(E,K)=5.5HZ
J(E,L)=6.2HZ
Spectral Code: 1H NMR : 400 MHz in CDCl3
-
ppm Int. Assign.
173.16 269 1
165.78 224 2
134.41 488 3
128.40 1000 4
127.85 1000 5
126.52 483 6
52.59 318 7
41.33 463 8
36.57 373 9
Spectral Code: 13C NMR : in CDCl3
-
Spectral Code: IR : KBr disc
-
Spectral Code: Raman : 4880 A,200 M,powder