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D-Allylglycine, N-propoxycarbonyl-, propyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

D-Allylglycine, N-propoxycarbonyl-, propyl ester
SpectraBase Compound ID GP2fCDlPrDg
InChI InChI=1S/C12H21NO4/c1-4-7-10(11(14)16-8-5-2)13-12(15)17-9-6-3/h4,10H,1,5-9H2,2-3H3,(H,13,15)
InChIKey BSTZJEBDCQOKPQ-UHFFFAOYSA-N
Mol Weight 243.3 g/mol
Molecular Formula C12H21NO4
Exact Mass 243.147058 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HfrlWFfMTNF
Name D-Allylglycine, N-propoxycarbonyl-, propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 243.147058156 u
Formula C12H21NO4
InChI InChI=1S/C12H21NO4/c1-4-7-10(11(14)16-8-5-2)13-12(15)17-9-6-3/h4,10H,1,5-9H2,2-3H3,(H,13,15)
InChIKey BSTZJEBDCQOKPQ-UHFFFAOYSA-N
Molecular Weight 243.303 g/mol
SMILES C(NC(OCCC)=O)(C(=O)OCCC)CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966033