L-2-[(Benzyloxycarbonyl)amino]-4-(2-ethoxycarbonyl-3-naphthyl)but-3-enyl acetate

SpectraBase Compound ID	AVPgYrexpON
InChI	InChI=1S/C27H27NO6/c1-3-32-26(30)25-16-22-12-8-7-11-21(22)15-23(25)13-14-24(18-33-19(2)29)28-27(31)34-17-20-9-5-4-6-10-20/h4-16,24H,3,17-18H2,1-2H3,(H,28,31)/b14-13+/t24-/m0/s1
InChIKey	XDIVCHNEOWFKMR-XXFRDUSWSA-N Google Search
Mol Weight	461.51 g/mol
Molecular Formula	C27H27NO6
Exact Mass	461.183838 g/mol

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SpectraBase Spectrum ID	2LVc0vqUH2R
Name	L-2-[(Benzyloxycarbonyl)amino]-4-(2-ethoxycarbonyl-3-naphthyl)but-3-enyl acetate
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	461.183837587 u
Formula	C27H27NO6
InChI	InChI=1S/C27H27NO6/c1-3-32-26(30)25-16-22-12-8-7-11-21(22)15-23(25)13-14-24(18-33-19(2)29)28-27(31)34-17-20-9-5-4-6-10-20/h4-16,24H,3,17-18H2,1-2H3,(H,28,31)/b14-13+/t24-/m0/s1
InChIKey	XDIVCHNEOWFKMR-XXFRDUSWSA-N
Molecular Weight	461.514 g/mol
SMILES	C1(=C(\C=C\[C@](NC(=O)OCC=2C=CC=CC2)(COC(=O)C)[H])C=C2C(=C1)C=CC=C2)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.82635