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Carbonic acid, monoamide, N-(2-butyl)-N-hexyl-, 3-chloropropyl ester

View entire compound with spectra: 1 FTIR

Carbonic acid, monoamide, N-(2-butyl)-N-hexyl-, 3-chloropropyl ester
SpectraBase Compound ID AVCeXTHU8PJ
InChI InChI=1S/C14H28ClNO2/c1-4-6-7-8-11-16(13(3)5-2)14(17)18-12-9-10-15/h13H,4-12H2,1-3H3
InChIKey ZAYSGBSIRCGSCF-UHFFFAOYSA-N
Mol Weight 277.84 g/mol
Molecular Formula C14H28ClNO2
Exact Mass 277.180857 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JUZ2pfaRAuD
Name Carbonic acid, monoamide, N-(2-butyl)-N-hexyl-, 3-chloropropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.180856844 u
Formula C14H28ClNO2
InChI InChI=1S/C14H28ClNO2/c1-4-6-7-8-11-16(13(3)5-2)14(17)18-12-9-10-15/h13H,4-12H2,1-3H3
InChIKey ZAYSGBSIRCGSCF-UHFFFAOYSA-N
Molecular Weight 277.836 g/mol
SMILES C(N(CCCCCC)C(CC)C)(=O)OCCCCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862555