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Glycine, 2-cyclohexyl-N-(2-ethylhexyl)oxycarbonyl-, nonyl ester

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

Glycine, 2-cyclohexyl-N-(2-ethylhexyl)oxycarbonyl-, nonyl ester
SpectraBase Compound ID LjhxGAtAMmR
InChI InChI=1S/C26H49NO4/c1-4-7-9-10-11-12-16-20-30-25(28)24(23-18-14-13-15-19-23)27-26(29)31-21-22(6-3)17-8-5-2/h22-24H,4-21H2,1-3H3,(H,27,29)
InChIKey AWXOUCGYNFRBGX-UHFFFAOYSA-N
Mol Weight 439.7 g/mol
Molecular Formula C26H49NO4
Exact Mass 439.366159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AGrDWFHh7cl
Name Glycine, 2-cyclohexyl-N-(2-ethylhexyl)oxycarbonyl-, nonyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 439.366159058 u
Formula C26H49NO4
InChI InChI=1S/C26H49NO4/c1-4-7-9-10-11-12-16-20-30-25(28)24(23-18-14-13-15-19-23)27-26(29)31-21-22(6-3)17-8-5-2/h22-24H,4-21H2,1-3H3,(H,27,29)
InChIKey AWXOUCGYNFRBGX-UHFFFAOYSA-N
Molecular Weight 439.681 g/mol
SMILES C1CC(CCC1)C(NC(=O)OCC(CC)CCCC)C(OCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926274