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Carbonic acid, monoamide, N-(2-phenylethyl)-N-(2-heptyl)-, decyl ester

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

Carbonic acid, monoamide, N-(2-phenylethyl)-N-(2-heptyl)-, decyl ester
SpectraBase Compound ID 1raNm43J4o3
InChI InChI=1S/C26H45NO2/c1-4-6-8-9-10-11-12-17-23-29-26(28)27(24(3)18-14-7-5-2)22-21-25-19-15-13-16-20-25/h13,15-16,19-20,24H,4-12,14,17-18,21-23H2,1-3H3
InChIKey UCWFHJNWODGATK-UHFFFAOYSA-N
Mol Weight 403.7 g/mol
Molecular Formula C26H45NO2
Exact Mass 403.34503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1FCyhslcUiy
Name Carbonic acid, monoamide, N-(2-phenylethyl)-N-(2-heptyl)-, decyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.345029691 u
Formula C26H45NO2
InChI InChI=1S/C26H45NO2/c1-4-6-8-9-10-11-12-17-23-29-26(28)27(24(3)18-14-7-5-2)22-21-25-19-15-13-16-20-25/h13,15-16,19-20,24H,4-12,14,17-18,21-23H2,1-3H3
InChIKey UCWFHJNWODGATK-UHFFFAOYSA-N
Molecular Weight 403.651 g/mol
SMILES C1=CC=CC(=C1)CCN(C(=O)OCCCCCCCCCC)C(CCCCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963335