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Glycine, N-(cyclobutylcarbonyl)-, tetradecyl ester

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Glycine, N-(cyclobutylcarbonyl)-, tetradecyl ester
SpectraBase Compound ID HLzC7P5tkoV
InChI InChI=1S/C21H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-25-20(23)18-22-21(24)19-15-14-16-19/h19H,2-18H2,1H3,(H,22,24)
InChIKey LLLPJWINLDVSKB-UHFFFAOYSA-N
Mol Weight 353.5 g/mol
Molecular Formula C21H39NO3
Exact Mass 353.292994 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BbiRH1yuWxP
Name Glycine, N-(cyclobutylcarbonyl)-, tetradecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.292994117 u
Formula C21H39NO3
InChI InChI=1S/C21H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-25-20(23)18-22-21(24)19-15-14-16-19/h19H,2-18H2,1H3,(H,22,24)
InChIKey LLLPJWINLDVSKB-UHFFFAOYSA-N
Molecular Weight 353.547 g/mol
SMILES C1(CCC1)C(NCC(OCCCCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.81232