| SpectraBase Spectrum ID |
3SsONLto5ZJ |
| Name |
Carbonic acid, monoamide, N-(2-phenylethyl)-N-(2-ethylhexyl)-, decyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.360679755 u |
| Formula |
C27H47NO2 |
| InChI |
InChI=1S/C27H47NO2/c1-4-7-9-10-11-12-13-17-23-30-27(29)28(24-25(6-3)18-8-5-2)22-21-26-19-15-14-16-20-26/h14-16,19-20,25H,4-13,17-18,21-24H2,1-3H3 |
| InChIKey |
KWNMBDWTDOTJMR-UHFFFAOYSA-N |
| Molecular Weight |
417.678 g/mol |
| SMILES |
C1=CC=CC(=C1)CCN(C(=O)OCCCCCCCCCC)CC(CCCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953605 |
