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

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

.beta.-ala-.beta.-ala, N-(N-Propyloxycarbonyl)-, N-propyl ester
SpectraBase Compound ID 1ftNWBec2Xp
InChI InChI=1S/C13H24N2O5/c1-3-9-19-12(17)6-8-14-11(16)5-7-15-13(18)20-10-4-2/h3-10H2,1-2H3,(H,14,16)(H,15,18)
InChIKey FTPAWUZBQOHZEN-UHFFFAOYSA-N
Mol Weight 288.34 g/mol
Molecular Formula C13H24N2O5
Exact Mass 288.168522 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 30Cn3iOU6aP
Name .beta.-ala-.beta.-ala, 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 288.168521876 u
Formula C13H24N2O5
InChI InChI=1S/C13H24N2O5/c1-3-9-19-12(17)6-8-14-11(16)5-7-15-13(18)20-10-4-2/h3-10H2,1-2H3,(H,14,16)(H,15,18)
InChIKey FTPAWUZBQOHZEN-UHFFFAOYSA-N
SMILES C(C(=O)NCCC(=O)OCCC)CNC(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954806