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Glycine, N-(cyclobutylcarbonyl)-, octadecyl ester

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

Glycine, N-(cyclobutylcarbonyl)-, octadecyl ester
SpectraBase Compound ID DLNjiBidvi0
InChI InChI=1S/C25H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-29-24(27)22-26-25(28)23-19-18-20-23/h23H,2-22H2,1H3,(H,26,28)
InChIKey ABGBXRKQMZIMMW-UHFFFAOYSA-N
Mol Weight 409.7 g/mol
Molecular Formula C25H47NO3
Exact Mass 409.355594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2szfr8EZXGc
Name Glycine, N-(cyclobutylcarbonyl)-, octadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.355594374 u
Formula C25H47NO3
InChI InChI=1S/C25H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-29-24(27)22-26-25(28)23-19-18-20-23/h23H,2-22H2,1H3,(H,26,28)
InChIKey ABGBXRKQMZIMMW-UHFFFAOYSA-N
Molecular Weight 409.655 g/mol
SMILES C1(CCC1)C(NCC(OCCCCCCCCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922038