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.beta.-Alanine, N-(N-propyloxycarbonyl)-, N-propyl ester

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

.beta.-Alanine, N-(N-propyloxycarbonyl)-, N-propyl ester
SpectraBase Compound ID Ly3B3wVWlrk
InChI InChI=1S/C10H19NO4/c1-3-7-14-9(12)5-6-11-10(13)15-8-4-2/h3-8H2,1-2H3,(H,11,13)
InChIKey XSEYONCNVNWLGC-UHFFFAOYSA-N
Mol Weight 217.26 g/mol
Molecular Formula C10H19NO4
Exact Mass 217.131408 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DscqNd1bc2T
Name .beta.-Alanine, N-(N-propyloxycarbonyl)-, N-propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 217.131408092 u
Formula C10H19NO4
InChI InChI=1S/C10H19NO4/c1-3-7-14-9(12)5-6-11-10(13)15-8-4-2/h3-8H2,1-2H3,(H,11,13)
InChIKey XSEYONCNVNWLGC-UHFFFAOYSA-N
Molecular Weight 217.265 g/mol
SMILES C(C(=O)OCCC)CNC(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972471