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N-Benzyloxycarbonyl-L-aspartic acid

View entire compound with spectra: 4 NMR, 5 FTIR, and 2 Raman

N-Benzyloxycarbonyl-L-aspartic acid
SpectraBase Compound ID 821VL6zAfX1
InChI InChI=1S/C12H13NO6/c14-10(15)6-9(11(16)17)13-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17)/t9-/m0/s1
InChIKey XYXYXSKSTZAEJW-VIFPVBQESA-N
Mol Weight 267.24 g/mol
Molecular Formula C12H13NO6
Exact Mass 267.074287 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JtGYFY9T2cr
Name N-CARBOXY-L-ASPARTIC ACID, N-BENZYL ESTER
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
CAS Registry Number 1152-61-0
Copyright Copyright © 1991-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO6
InChI InChI=1S/C12H13NO6/c14-10(15)6-9(11(16)17)13-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17)/t9-/m0/s1
InChIKey XYXYXSKSTZAEJW-VIFPVBQESA-N
Instrument Name BRUKER AC-300
Melting Point 116C
Molecular Weight 267.24
Solvent DMSO-d6; Reference=TMS; Temperature 297K