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Carbonic acid, monoamide, N-dodecyl-, 2-ethylhexyl ester

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Carbonic acid, monoamide, N-dodecyl-, 2-ethylhexyl ester
SpectraBase Compound ID 4x1eAesiwkZ
InChI InChI=1S/C21H43NO2/c1-4-7-9-10-11-12-13-14-15-16-18-22-21(23)24-19-20(6-3)17-8-5-2/h20H,4-19H2,1-3H3,(H,22,23)
InChIKey XPNDAQZRUWATFU-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 6Z2YvBhUM60
Name Carbonic acid, monoamide, N-dodecyl-, 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/c1-4-7-9-10-11-12-13-14-15-16-18-22-21(23)24-19-20(6-3)17-8-5-2/h20H,4-19H2,1-3H3,(H,22,23)
InChIKey XPNDAQZRUWATFU-UHFFFAOYSA-N
Molecular Weight 341.580 g/mol
SMILES C(NCCCCCCCCCCCC)(=O)OCC(CCCC)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907576