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Carbonic acid, monoamide, N-(2-butyl)-N-(2-ethylhexyl)-, 2-ethylhexyl ester
SpectraBase Compound ID HmWymPQgst9
InChI InChI=1S/C21H43NO2/c1-7-12-14-19(10-4)16-22(18(6)9-3)21(23)24-17-20(11-5)15-13-8-2/h18-20H,7-17H2,1-6H3
InChIKey VKIPGIOUYVKIEE-UHFFFAOYSA-N
Mol Weight 341.6 g/mol
Molecular Formula C21H43NO2
Exact Mass 341.32938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BN8B1obqskB
Name Carbonic acid, monoamide, N-(2-butyl)-N-(2-ethylhexyl)-, 2-ethylhexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.329379627 u
Formula C21H43NO2
InChI InChI=1S/C21H43NO2/c1-7-12-14-19(10-4)16-22(18(6)9-3)21(23)24-17-20(11-5)15-13-8-2/h18-20H,7-17H2,1-6H3
InChIKey VKIPGIOUYVKIEE-UHFFFAOYSA-N
Molecular Weight 341.580 g/mol
SMILES C(N(CC(CCCC)CC)C(CC)C)(=O)OCC(CCCC)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925404