2-(Tert-butoxycarbonylmethoxymethylamino)-2-methyl-3-phenylpropionoic acid 2-[2-(tert-butoxycarbonylmethoxymethylamino)-2-methyl-3-phenylpropionyloxy]ethyl ester

SpectraBase Compound ID	8MeM4424fsI
InChI	InChI=1S/C36H52N2O10/c1-33(2,3)47-31(41)37(25-43-9)35(7,23-27-17-13-11-14-18-27)29(39)45-21-22-46-30(40)36(8,24-28-19-15-12-16-20-28)38(26-44-10)32(42)48-34(4,5)6/h11-20H,21-26H2,1-10H3
InChIKey	JUHJKDBSJCXLKI-UHFFFAOYSA-N Google Search
Mol Weight	672.8 g/mol
Molecular Formula	C36H52N2O10
Exact Mass	672.362196 g/mol

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SpectraBase Spectrum ID	8bFlwpNXEbJ
Name	2-(Tert-butoxycarbonylmethoxymethylamino)-2-methyl-3-phenylpropionoic acid 2-[2-(tert-butoxycarbonylmethoxymethylamino)-2-methyl-3-phenylpropionyloxy]ethyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	672.362195872 u
Formula	C36H52N2O10
InChI	InChI=1S/C36H52N2O10/c1-33(2,3)47-31(41)37(25-43-9)35(7,23-27-17-13-11-14-18-27)29(39)45-21-22-46-30(40)36(8,24-28-19-15-12-16-20-28)38(26-44-10)32(42)48-34(4,5)6/h11-20H,21-26H2,1-10H3
InChIKey	JUHJKDBSJCXLKI-UHFFFAOYSA-N
SMILES	C(N(C(C(=O)OCCOC(C(N(C(OC(C)(C)C)=O)COC)(CC=1C=CC=CC1)C)=O)(CC=1C=CC=CC1)C)COC)(OC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.940663