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Carbonic acid, monoamide, N-benzyl-N-(2-heptyl)-, allyl ester

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

Carbonic acid, monoamide, N-benzyl-N-(2-heptyl)-, allyl ester
SpectraBase Compound ID 4Sl8uC4nTUV
InChI InChI=1S/C18H27NO2/c1-4-6-8-11-16(3)19(18(20)21-14-5-2)15-17-12-9-7-10-13-17/h5,7,9-10,12-13,16H,2,4,6,8,11,14-15H2,1,3H3
InChIKey AKKUIQOUCABDCG-UHFFFAOYSA-N
Mol Weight 289.42 g/mol
Molecular Formula C18H27NO2
Exact Mass 289.204179 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AV7fXH90NjE
Name Carbonic acid, monoamide, N-benzyl-N-(2-heptyl)-, allyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.204179111 u
Formula C18H27NO2
InChI InChI=1S/C18H27NO2/c1-4-6-8-11-16(3)19(18(20)21-14-5-2)15-17-12-9-7-10-13-17/h5,7,9-10,12-13,16H,2,4,6,8,11,14-15H2,1,3H3
InChIKey AKKUIQOUCABDCG-UHFFFAOYSA-N
SMILES C=CCOC(=O)N(C(CCCCC)C)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.891132