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.beta.-Alanine, N-allyloxycarbonyl-, dodecyl ester

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

.beta.-Alanine, N-allyloxycarbonyl-, dodecyl ester
SpectraBase Compound ID ICgrDLJ4Xo0
InChI InChI=1S/C19H35NO4/c1-3-5-6-7-8-9-10-11-12-13-17-23-18(21)14-15-20-19(22)24-16-4-2/h4H,2-3,5-17H2,1H3,(H,20,22)
InChIKey LNROTORHUHAEEZ-UHFFFAOYSA-N
Mol Weight 341.5 g/mol
Molecular Formula C19H35NO4
Exact Mass 341.256609 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JL2HrU84msm
Name .beta.-Alanine, N-allyloxycarbonyl-, dodecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.256608607 u
Formula C19H35NO4
InChI InChI=1S/C19H35NO4/c1-3-5-6-7-8-9-10-11-12-13-17-23-18(21)14-15-20-19(22)24-16-4-2/h4H,2-3,5-17H2,1H3,(H,20,22)
InChIKey LNROTORHUHAEEZ-UHFFFAOYSA-N
Molecular Weight 341.492 g/mol
SMILES C=CCOC(NCCC(OCCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.906175