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 |