L-Serine methyl ester hydrochloride(5680-80-8) IR1
Product NameL-Serine methyl ester hydrochloride
CAS5680-80-8
Molecular FormulaC4H9NO3.ClH
Molecular Weight155.58
InChIInChI=1/C4H9NO3.ClH/c1-8-4(7)3(5)2-6;/h3,6H,2,5H2,1H3;1H/t3-;/s3
InChIKey NDBQJIBNNUJNHA-OQFXAWDINA-N
Smiles[C@H](N)(CO)C(=O)OC.Cl |&1:0,r|
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Assign. Shift(ppm)
B 4.300 C *1 4.109 D *1 4.014 E 3.863 THE SOLVENT SIGNAL REMOVED. J(B,C)=4.2HZ J(B,D)=3.4HZ J(C,D)=-12.6HZSpectral Code: 1H NMR : 400 MHz in D2O
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ppm Int. Assign.
169.70 1000 1 60.07 982 2 55.55 823 3 54.60 687 4Spectral 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
