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.beta.-Alanine, N-isopropyloxycarbonyl-, isopropyl ester

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

.beta.-Alanine, N-isopropyloxycarbonyl-, isopropyl ester
SpectraBase Compound ID E8CIub1CgEK
InChI InChI=1S/C10H19NO4/c1-7(2)14-9(12)5-6-11-10(13)15-8(3)4/h7-8H,5-6H2,1-4H3,(H,11,13)
InChIKey SKFBAUHNXBSPKB-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 CL1CeNAOEoV
Name .beta.-Alanine, N-isopropyloxycarbonyl-, isopropyl 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/c1-7(2)14-9(12)5-6-11-10(13)15-8(3)4/h7-8H,5-6H2,1-4H3,(H,11,13)
InChIKey SKFBAUHNXBSPKB-UHFFFAOYSA-N
Molecular Weight 217.265 g/mol
SMILES C(C(=O)OC(C)C)CNC(OC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948031