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

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Carbonic acid, monoamide, N-heptyl-, benzyl ester
SpectraBase Compound ID 2eKPc47HDqq
InChI InChI=1S/C15H23NO2/c1-2-3-4-5-9-12-16-15(17)18-13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3,(H,16,17)
InChIKey SCOZVNWEBGFLMY-UHFFFAOYSA-N
Mol Weight 249.35 g/mol
Molecular Formula C15H23NO2
Exact Mass 249.172879 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID vFmzH8r0Ag
Name Carbonic acid, monoamide, N-heptyl-, benzyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.172878983 u
Formula C15H23NO2
InChI InChI=1S/C15H23NO2/c1-2-3-4-5-9-12-16-15(17)18-13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3,(H,16,17)
InChIKey SCOZVNWEBGFLMY-UHFFFAOYSA-N
Molecular Weight 249.354 g/mol
SMILES C(OCC=1C=CC=CC1)(=O)NCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898744