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.beta.-Alanine, N-(cyclopentylpropionyl)-, pentyl ester

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

.beta.-Alanine, N-(cyclopentylpropionyl)-, pentyl ester
SpectraBase Compound ID JM4YMSIj2ly
InChI InChI=1S/C16H29NO3/c1-2-3-6-13-20-16(19)11-12-17-15(18)10-9-14-7-4-5-8-14/h14H,2-13H2,1H3,(H,17,18)
InChIKey LNWWNMMMEIYEDE-UHFFFAOYSA-N
Mol Weight 283.41 g/mol
Molecular Formula C16H29NO3
Exact Mass 283.214744 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FLzS519SXeD
Name .beta.-Alanine, N-(cyclopentylpropionyl)-, pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 283.214743795 u
Formula C16H29NO3
InChI InChI=1S/C16H29NO3/c1-2-3-6-13-20-16(19)11-12-17-15(18)10-9-14-7-4-5-8-14/h14H,2-13H2,1H3,(H,17,18)
InChIKey LNWWNMMMEIYEDE-UHFFFAOYSA-N
SMILES C1(CCCC1)CCC(NCCC(OCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.827981