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Carbonic acid, monoamide, N-decyl-, benzyl ester

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Carbonic acid, monoamide, N-decyl-, benzyl ester
SpectraBase Compound ID LU6G5Wc9wcR
InChI InChI=1S/C18H29NO2/c1-2-3-4-5-6-7-8-12-15-19-18(20)21-16-17-13-10-9-11-14-17/h9-11,13-14H,2-8,12,15-16H2,1H3,(H,19,20)
InChIKey LMQKCTCDARBRFW-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 9CxufJuYrt3
Name Carbonic acid, monoamide, N-decyl-, benzyl 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/c1-2-3-4-5-6-7-8-12-15-19-18(20)21-16-17-13-10-9-11-14-17/h9-11,13-14H,2-8,12,15-16H2,1H3,(H,19,20)
InChIKey LMQKCTCDARBRFW-UHFFFAOYSA-N
SMILES C(OCC=1C=CC=CC1)(=O)NCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.827495