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Carbonic acid, monoamide, N-octyl-, butyl ester

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Carbonic acid, monoamide, N-octyl-, butyl ester
SpectraBase Compound ID J8JyAMJ7E1f
InChI InChI=1S/C13H27NO2/c1-3-5-7-8-9-10-11-14-13(15)16-12-6-4-2/h3-12H2,1-2H3,(H,14,15)
InChIKey GXPOIKFYBOVJLC-UHFFFAOYSA-N
Mol Weight 229.36 g/mol
Molecular Formula C13H27NO2
Exact Mass 229.204179 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KLmvOek0vS
Name Carbonic acid, monoamide, N-octyl-, butyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 229.204179111 u
Formula C13H27NO2
InChI InChI=1S/C13H27NO2/c1-3-5-7-8-9-10-11-14-13(15)16-12-6-4-2/h3-12H2,1-2H3,(H,14,15)
InChIKey GXPOIKFYBOVJLC-UHFFFAOYSA-N
Molecular Weight 229.364 g/mol
SMILES C(OCCCC)(=O)NCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964971