Z-DL-ALA-OH(4132-86-9) 13C NMR
Product NameZ-DL-ALA-OH
CAS4132-86-9
Molecular FormulaC11H13NO4
Molecular Weight223.23
InChIInChI=1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1
InChIKey TYRGLVWXHJRKMT-QMMMGPOBSA-N
SmilesC(O)(=O)[C@H](C)NC(OCC1=CC=CC=C1)=O
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Assign. Shift(ppm)
A 10.8 B 7.33 C 5.4 D 5.118 E 4.39 F 1.438Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
177.65 84 1 155.89 86 2 136.07 110 3 128.53 1000 4 * 128.24 461 5 128.10 498 6 * 67.16 123 7 49.52 99 8 18.40 156 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
