SpectraBase Compound ID | FESHQGLwMDQ |
---|---|
InChI | InChI=1S/C16H33NO2/c1-5-8-9-10-11-12-13-14-17(15(4)6-2)16(18)19-7-3/h15H,5-14H2,1-4H3 |
InChIKey | PBPJKAWCQYRWTO-UHFFFAOYSA-N |
Mol Weight | 271.4 g/mol |
Molecular Formula | C16H33NO2 |
Exact Mass | 271.251129 g/mol |
SpectraBase Spectrum ID | AkfuexO1k8K |
---|---|
Name | Carbamic acid, N-(2-butyl)-N-nonyl-, ethyl ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 271.251129305 u |
Formula | C16H33NO2 |
InChI | InChI=1S/C16H33NO2/c1-5-8-9-10-11-12-13-14-17(15(4)6-2)16(18)19-7-3/h15H,5-14H2,1-4H3 |
InChIKey | PBPJKAWCQYRWTO-UHFFFAOYSA-N |
SMILES | C(N(CCCCCCCCC)C(CC)C)(=O)OCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.838648 |