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.beta.-ala-.beta.-ala, N-(N-Propyloxycarbonyl)-, methyl ester

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

.beta.-ala-.beta.-ala, N-(N-Propyloxycarbonyl)-, methyl ester
SpectraBase Compound ID B7wOPngD9Zb
InChI InChI=1S/C11H20N2O5/c1-3-8-18-11(16)13-6-4-9(14)12-7-5-10(15)17-2/h3-8H2,1-2H3,(H,12,14)(H,13,16)
InChIKey CQKBDAVSSUNUCA-UHFFFAOYSA-N
Mol Weight 260.29 g/mol
Molecular Formula C11H20N2O5
Exact Mass 260.137222 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IaTaMYuhA8J
Name .beta.-ala-.beta.-ala, N-(N-Propyloxycarbonyl)-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.137221747 u
Formula C11H20N2O5
InChI InChI=1S/C11H20N2O5/c1-3-8-18-11(16)13-6-4-9(14)12-7-5-10(15)17-2/h3-8H2,1-2H3,(H,12,14)(H,13,16)
InChIKey CQKBDAVSSUNUCA-UHFFFAOYSA-N
Molecular Weight 260.290 g/mol
SMILES C(C(=O)NCCC(=O)OC)CNC(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923056