SpectraBase Spectrum ID |
1F954jKBHN5 |
Name |
Carbonic acid, monoamide, N-(2-butyl)-N-methyl-, 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/c1-6-9-10-13(8-3)11-17-14(16)15(5)12(4)7-2/h12-13H,6-11H2,1-5H3 |
InChIKey |
GGFXYRKCTICANS-UHFFFAOYSA-N |
Molecular Weight |
243.391 g/mol |
SMILES |
C(N(C)C(CC)C)(=O)OCC(CCCC)CC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97472 |