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L-Valine, N-benzyloxycarbonyl-, benzyl ester

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L-Valine, N-benzyloxycarbonyl-, benzyl ester
SpectraBase Compound ID D6rJ5MKr5wb
InChI InChI=1S/C20H23NO4/c1-15(2)18(19(22)24-13-16-9-5-3-6-10-16)21-20(23)25-14-17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3,(H,21,23)
InChIKey IFYSBYLSNRMCCS-UHFFFAOYSA-N
Mol Weight 341.41 g/mol
Molecular Formula C20H23NO4
Exact Mass 341.162708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JqWhswMQlDJ
Name L-Valine, N-benzyloxycarbonyl-, benzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.162708221 u
Formula C20H23NO4
InChI InChI=1S/C20H23NO4/c1-15(2)18(19(22)24-13-16-9-5-3-6-10-16)21-20(23)25-14-17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3,(H,21,23)
InChIKey IFYSBYLSNRMCCS-UHFFFAOYSA-N
Molecular Weight 341.407 g/mol
SMILES CC(C(C(OCC1=CC=CC=C1)=O)NC(OCC=1C=CC=CC1)=O)C