O-Benzyl-DL-serine(5445-44-3) IR1
Product NameO-Benzyl-DL-serine
CAS5445-44-3
Molecular FormulaC10H13NO3
Molecular Weight195.22
InChIInChI=1S/C10H13NO3/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
InChIKey IDGQXGPQOGUGIX-VIFPVBQESA-N
SmilesC(O)(=O)[C@H](COCC1=CC=CC=C1)N
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Assign. Shift(ppm)
A 7.47 B 7.46 C 7.44 D 4.628 E 3.93Spectral Code: 1H NMR : 400 MHz at 70C
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ppm Int. Assign.
172.43 174 1 138.12 256 2 129.57 872 3 129.08 1000 4 5 73.86 384 6 68.81 349 7 55.62 244 8Spectral Code: 13C NMR : in D2O
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Spectral Code: IR : KBr disc
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Spectral Code: Raman : 4880 A,200 M,powder
