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3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine, N,o,o'-tri(I-propyloxycarbonyl)-, methyl ester
SpectraBase Compound ID 8r8ktKYU107
InChI InChI=1S/C23H33NO10/c1-13(2)30-20(26)24-23(7,19(25)29-8)12-16-9-10-17(33-21(27)31-14(3)4)18(11-16)34-22(28)32-15(5)6/h9-11,13-15H,12H2,1-8H3,(H,24,26)
InChIKey RHANOOXLYQNHPD-UHFFFAOYSA-N
Mol Weight 483.5 g/mol
Molecular Formula C23H33NO10
Exact Mass 483.210446 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IQ2At1Zjwcg
Name 3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine, N,o,o'-tri(I-propyloxycarbonyl)-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 483.210446257 u
Formula C23H33NO10
InChI InChI=1S/C23H33NO10/c1-13(2)30-20(26)24-23(7,19(25)29-8)12-16-9-10-17(33-21(27)31-14(3)4)18(11-16)34-22(28)32-15(5)6/h9-11,13-15H,12H2,1-8H3,(H,24,26)
InChIKey RHANOOXLYQNHPD-UHFFFAOYSA-N
Molecular Weight 483.514 g/mol
SMILES C1=CC(=CC(=C1OC(OC(C)C)=O)OC(OC(C)C)=O)CC(C(OC)=O)(C)NC(OC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959589