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Carbonic acid, monoamide, N-3-methylbutyl-, 2-ethylhexyl ester

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Carbonic acid, monoamide, N-3-methylbutyl-, 2-ethylhexyl ester
SpectraBase Compound ID HwIPTlkSzZP
InChI InChI=1S/C14H29NO2/c1-5-7-8-13(6-2)11-17-14(16)15-10-9-12(3)4/h12-13H,5-11H2,1-4H3,(H,15,16)
InChIKey WWDLEVIPAAZLQM-UHFFFAOYSA-N
Mol Weight 243.39 g/mol
Molecular Formula C14H29NO2
Exact Mass 243.219829 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4nULYbgH0b9
Name Carbonic acid, monoamide, N-3-methylbutyl-, 2-ethylhexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 243.219829176 u
Formula C14H29NO2
InChI InChI=1S/C14H29NO2/c1-5-7-8-13(6-2)11-17-14(16)15-10-9-12(3)4/h12-13H,5-11H2,1-4H3,(H,15,16)
InChIKey WWDLEVIPAAZLQM-UHFFFAOYSA-N
Molecular Weight 243.391 g/mol
SMILES C(NCCC(C)C)(=O)OCC(CCCC)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.98322