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3-Oxo-N-tert-butyl-N(,alpha.)-phthaloyltyrosinamide
SpectraBase Compound ID CVCKg60X7X7
InChI InChI=1S/C21H20N2O4/c1-21(2,3)22-18(25)16(17(24)13-9-5-4-6-10-13)23-19(26)14-11-7-8-12-15(14)20(23)27/h4-12,16H,1-3H3,(H,22,25)/t16-/m0/s1
InChIKey HINKYCLKGVCVKB-INIZCTEOSA-N
Mol Weight 364.4 g/mol
Molecular Formula C21H20N2O4
Exact Mass 364.142307 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FNGzAvMwXQG
Name 3-oxo-N-Tert-butyl-N(,alpha.)-phthaloyltyrosinamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.142307128 u
Formula C21H20N2O4
InChI InChI=1S/C21H20N2O4/c1-21(2,3)22-18(25)16(17(24)13-9-5-4-6-10-13)23-19(26)14-11-7-8-12-15(14)20(23)27/h4-12,16H,1-3H3,(H,22,25)/t16-/m0/s1
InChIKey HINKYCLKGVCVKB-INIZCTEOSA-N
Molecular Weight 364.401 g/mol
SMILES [C@](N1C(C=2C=CC=CC2C1=O)=O)(C(NC(C)(C)C)=O)(C(=O)C=1C=CC=CC1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971457