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

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Carbonic acid, monoamide, N-octyl-, hexyl ester
SpectraBase Compound ID 6flFjAbEDcH
InChI InChI=1S/C15H31NO2/c1-3-5-7-9-10-11-13-16-15(17)18-14-12-8-6-4-2/h3-14H2,1-2H3,(H,16,17)
InChIKey JXDSIVDJDBCNMM-UHFFFAOYSA-N
Mol Weight 257.42 g/mol
Molecular Formula C15H31NO2
Exact Mass 257.235479 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9T5pDzdLmBH
Name Carbonic acid, monoamide, N-octyl-, hexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.235479240 u
Formula C15H31NO2
InChI InChI=1S/C15H31NO2/c1-3-5-7-9-10-11-13-16-15(17)18-14-12-8-6-4-2/h3-14H2,1-2H3,(H,16,17)
InChIKey JXDSIVDJDBCNMM-UHFFFAOYSA-N
Molecular Weight 257.418 g/mol
SMILES C(NCCCCCCCC)(=O)OCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.861109