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N-carboxy-D-threonine, N-benzyl methyl ester
SpectraBase Compound ID 9ujcCSpzEAc
InChI InChI=1S/C13H17NO5/c1-9(15)11(12(16)18-2)14-13(17)19-8-10-6-4-3-5-7-10/h3-7,9,11,15H,8H2,1-2H3,(H,14,17)/t9-,11+/m0/s1
InChIKey OPZWAOJFQFYYIX-GXSJLCMTSA-N
Mol Weight 267.28 g/mol
Molecular Formula C13H17NO5
Exact Mass 267.110673 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID IDYLlF6mIOl
Name N-CARBOXY-D-THREONINE, N-BENZYL METHYL ESTER
Source of Sample A. V. Stachulski, Beecham Pharmaceuticals, Surrey, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO5
InChI InChI=1S/C13H17NO5/c1-9(15)11(12(16)18-2)14-13(17)19-8-10-6-4-3-5-7-10/h3-7,9,11,15H,8H2,1-2H3,(H,14,17)/t9-,11+/m0/s1
InChIKey OPZWAOJFQFYYIX-GXSJLCMTSA-N
Literature Reference TETRAHEDRON LETT. 23, 3789(1982) Abstract-Chemical Abstracts= 98, 72691X(1983)
Melting Point 91.5-92C
Molecular Weight 267.281006
Optical Properties Optical Rotation= (20C) +18.7 DEG (c=1.1, METHANOL)
Synonyms THREONINE, N-CARBOXY-, N-BENZYL METHYL ESTER, D-,
Technique KBr WAFER