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N-(Benzyloxycarbonyl)-dehydroalanine-methylester

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

N-(Benzyloxycarbonyl)-dehydroalanine-methylester
SpectraBase Compound ID Gv3Wy8kOr6f
InChI InChI=1S/C12H13NO4/c1-9(11(14)16-2)13-12(15)17-8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3,(H,13,15)
InChIKey STFUIEDYPRMRNN-UHFFFAOYSA-N
Mol Weight 235.24 g/mol
Molecular Formula C12H13NO4
Exact Mass 235.084458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EVZ3Vb8BNsA
Name N-(Benzyloxycarbonyl)-dehydroalanine-methylester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.084457899 u
Formula C12H13NO4
InChI InChI=1S/C12H13NO4/c1-9(11(14)16-2)13-12(15)17-8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3,(H,13,15)
InChIKey STFUIEDYPRMRNN-UHFFFAOYSA-N
Molecular Weight 235.239 g/mol
SMILES C(NC(=O)OCC1=CC=CC=C1)(C(=O)OC)=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949413