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L-(-)-N-carboxythreonine, N-benzyl ester

View entire compound with spectra: 4 NMR, and 2 FTIR

L-(-)-N-carboxythreonine, N-benzyl ester
SpectraBase Compound ID 6Op0H8vcNgv
InChI InChI=1S/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)/t8-,10+/m1/s1
InChIKey IPJUIRDNBFZGQN-SCZZXKLOSA-N
Mol Weight 253.25 g/mol
Molecular Formula C12H15NO5
Exact Mass 253.095023 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 8ATJO68Oi5
Name L-N-CARBOXYTHREONINE, N-BENZYL ESTER
Source of Sample Fluka Chemie AG, Buchs, Switzerland
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO5
InChI InChI=1S/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)/t8-,10+/m1/s1
InChIKey IPJUIRDNBFZGQN-SCZZXKLOSA-N
Melting Point 100-102C
Molecular Weight 253.253998
Optical Properties Optical Rotation= (20C) -5.5 +/- 0.3 DEG (c=4, ACETIC ACID)
Synonyms THREONINE, N-CARBOXY-, N-BENZYL ESTER, L-/MINUS/-,
Technique KBr WAFER