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Carbonic acid, monoamide, N-(2-pentyl)-N-hexadecyl-, benzyl ester

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

Carbonic acid, monoamide, N-(2-pentyl)-N-hexadecyl-, benzyl ester
SpectraBase Compound ID 73ou9MtumAK
InChI InChI=1S/C29H51NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-25-30(27(3)22-5-2)29(31)32-26-28-23-19-18-20-24-28/h18-20,23-24,27H,4-17,21-22,25-26H2,1-3H3
InChIKey YLADKADWDWFHPY-UHFFFAOYSA-N
Mol Weight 445.7 g/mol
Molecular Formula C29H51NO2
Exact Mass 445.39198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CuaoxqZqiap
Name Carbonic acid, monoamide, N-(2-pentyl)-N-hexadecyl-, benzyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.391979884 u
Formula C29H51NO2
InChI InChI=1S/C29H51NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-25-30(27(3)22-5-2)29(31)32-26-28-23-19-18-20-24-28/h18-20,23-24,27H,4-17,21-22,25-26H2,1-3H3
InChIKey YLADKADWDWFHPY-UHFFFAOYSA-N
Molecular Weight 445.732 g/mol
SMILES CCCC(C)N(C(OCC=1C=CC=CC1)=O)CCCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.854725