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Carbamic acid, N-(2-butyl)-N-pentadecyl-, benzyl ester

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

Carbamic acid, N-(2-butyl)-N-pentadecyl-, benzyl ester
SpectraBase Compound ID FWCLslbaovu
InChI InChI=1S/C27H47NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-20-23-28(25(3)5-2)27(29)30-24-26-21-18-17-19-22-26/h17-19,21-22,25H,4-16,20,23-24H2,1-3H3
InChIKey JEOLLPJVJNNBQQ-UHFFFAOYSA-N
Mol Weight 417.7 g/mol
Molecular Formula C27H47NO2
Exact Mass 417.36068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ta1T8AoBP3
Name Carbamic acid, N-(2-butyl)-N-pentadecyl-, benzyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.360679755 u
Formula C27H47NO2
InChI InChI=1S/C27H47NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-20-23-28(25(3)5-2)27(29)30-24-26-21-18-17-19-22-26/h17-19,21-22,25H,4-16,20,23-24H2,1-3H3
InChIKey JEOLLPJVJNNBQQ-UHFFFAOYSA-N
Molecular Weight 417.678 g/mol
SMILES C(N(CCCCCCCCCCCCCCC)C(CC)C)(=O)OCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.858899