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Carbonic acid, monoamide, N-(2-phenylethyl)-N-butyl-, octyl ester

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

Carbonic acid, monoamide, N-(2-phenylethyl)-N-butyl-, octyl ester
SpectraBase Compound ID 7npezqZbAok
InChI InChI=1S/C21H35NO2/c1-3-5-7-8-9-13-19-24-21(23)22(17-6-4-2)18-16-20-14-11-10-12-15-20/h10-12,14-15H,3-9,13,16-19H2,1-2H3
InChIKey WVTUEXIORDNGSY-UHFFFAOYSA-N
Mol Weight 333.5 g/mol
Molecular Formula C21H35NO2
Exact Mass 333.266779 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LJWyUqqJdK0
Name Carbonic acid, monoamide, N-(2-phenylethyl)-N-butyl-, octyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.266779369 u
Formula C21H35NO2
InChI InChI=1S/C21H35NO2/c1-3-5-7-8-9-13-19-24-21(23)22(17-6-4-2)18-16-20-14-11-10-12-15-20/h10-12,14-15H,3-9,13,16-19H2,1-2H3
InChIKey WVTUEXIORDNGSY-UHFFFAOYSA-N
Molecular Weight 333.516 g/mol
SMILES C1=CC=CC(=C1)CCN(C(=O)OCCCCCCCC)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.865196