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Glycine, N-allyloxycarbonyl-, hexadecyl ester

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Glycine, N-allyloxycarbonyl-, hexadecyl ester
SpectraBase Compound ID 521VakQ2WDG
InChI InChI=1S/C22H41NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26-21(24)20-23-22(25)27-18-4-2/h4H,2-3,5-20H2,1H3,(H,23,25)
InChIKey YQJPJPPHVUFNLP-UHFFFAOYSA-N
Mol Weight 383.6 g/mol
Molecular Formula C22H41NO4
Exact Mass 383.303559 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 49YTvHES6uJ
Name Glycine, N-allyloxycarbonyl-, hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.303558800 u
Formula C22H41NO4
InChI InChI=1S/C22H41NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26-21(24)20-23-22(25)27-18-4-2/h4H,2-3,5-20H2,1H3,(H,23,25)
InChIKey YQJPJPPHVUFNLP-UHFFFAOYSA-N
Molecular Weight 383.573 g/mol
SMILES C=CCOC(NCC(OCCCCCCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9091