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Carbonic acid, monoamide, N-benzyl-N-hexyl-, isobutyl ester

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

Carbonic acid, monoamide, N-benzyl-N-hexyl-, isobutyl ester
SpectraBase Compound ID 5Ucb87gz3kT
InChI InChI=1S/C18H29NO2/c1-4-5-6-10-13-19(18(20)21-15-16(2)3)14-17-11-8-7-9-12-17/h7-9,11-12,16H,4-6,10,13-15H2,1-3H3
InChIKey YFJLRVXQNKBFRW-UHFFFAOYSA-N
Mol Weight 291.44 g/mol
Molecular Formula C18H29NO2
Exact Mass 291.219829 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2T18v1xiXra
Name Carbonic acid, monoamide, N-benzyl-N-hexyl-, isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.219829176 u
Formula C18H29NO2
InChI InChI=1S/C18H29NO2/c1-4-5-6-10-13-19(18(20)21-15-16(2)3)14-17-11-8-7-9-12-17/h7-9,11-12,16H,4-6,10,13-15H2,1-3H3
InChIKey YFJLRVXQNKBFRW-UHFFFAOYSA-N
SMILES C(OCC(C)C)(=O)N(CCCCCC)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.81617