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Glycine, N-(4-butylbenzoyl)-, undecyl ester

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

Glycine, N-(4-butylbenzoyl)-, undecyl ester
SpectraBase Compound ID 8nv5hlQDkbW
InChI InChI=1S/C24H39NO3/c1-3-5-7-8-9-10-11-12-13-19-28-23(26)20-25-24(27)22-17-15-21(16-18-22)14-6-4-2/h15-18H,3-14,19-20H2,1-2H3,(H,25,27)
InChIKey NKLIWWBLHWPGNI-UHFFFAOYSA-N
Mol Weight 389.6 g/mol
Molecular Formula C24H39NO3
Exact Mass 389.292994 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I9bcJyMNEic
Name Glycine, N-(4-butylbenzoyl)-, undecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.292994117 u
Formula C24H39NO3
InChI InChI=1S/C24H39NO3/c1-3-5-7-8-9-10-11-12-13-19-28-23(26)20-25-24(27)22-17-15-21(16-18-22)14-6-4-2/h15-18H,3-14,19-20H2,1-2H3,(H,25,27)
InChIKey NKLIWWBLHWPGNI-UHFFFAOYSA-N
Molecular Weight 389.580 g/mol
SMILES C1=CC(=CC=C1C(NCC(OCCCCCCCCCCC)=O)=O)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.870401