CHLOROAC-D-PHE-OH(137503-97-0) 13C NMR
Product NameCHLOROAC-D-PHE-OH
CAS137503-97-0
Molecular FormulaC11H12ClNO3
Molecular Weight241.67
InChIInChI=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
SmilesC(O)(=O)[C@@H](CC1=CC=CC=C1)NC(CCl)=O
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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)=6.2HZSpectral Code: 1H NMR : 400 MHz in CDCl3
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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 9Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : KBr disc
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Spectral Code: Raman : 4880 A,200 M,powder