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N-T-Butoxycarbonyldehydroalanine methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

N-T-Butoxycarbonyldehydroalanine methyl ester
SpectraBase Compound ID IwJBcqZTsZz
InChI InChI=1S/C9H15NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h1H2,2-5H3,(H,10,12)
InChIKey MGBHVVGQPZDMHA-UHFFFAOYSA-N
Mol Weight 201.22 g/mol
Molecular Formula C9H15NO4
Exact Mass 201.100108 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2aYSFmfMFMk
Name N-T-Butoxycarbonyldehydroalanine methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 201.100107963 u
Formula C9H15NO4
InChI InChI=1S/C9H15NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h1H2,2-5H3,(H,10,12)
InChIKey MGBHVVGQPZDMHA-UHFFFAOYSA-N
Molecular Weight 201.222 g/mol
SMILES C(NC(C(=O)OC)=C)(OC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966096