| SpectraBase Spectrum ID |
AkA6mAUZsS1 |
| Name |
Carbonic acid, monoamide, N-(hept-2-yl)-, 2-ethylhexyl 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/c1-5-8-10-11-14(4)17-16(18)19-13-15(7-3)12-9-6-2/h14-15H,5-13H2,1-4H3,(H,17,18) |
| InChIKey |
JKNXFYPSRJLSMF-UHFFFAOYSA-N |
| SMILES |
C(NC(CCCCC)C)(=O)OCC(CCCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965408 |
