| SpectraBase Spectrum ID |
EuKHEcrBMZR |
| Name |
Carbonic acid, monoamide, N-(2-phenylethyl)-N-isobutyl-, 2-ethylhexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.266779369 u |
| Formula |
C21H35NO2 |
| InChI |
InChI=1S/C21H35NO2/c1-5-7-11-19(6-2)17-24-21(23)22(16-18(3)4)15-14-20-12-9-8-10-13-20/h8-10,12-13,18-19H,5-7,11,14-17H2,1-4H3 |
| InChIKey |
SVDYPMZSFQFUQR-UHFFFAOYSA-N |
| Molecular Weight |
333.516 g/mol |
| SMILES |
C1=CC=CC(=C1)CCN(C(=O)OCC(CC)CCCC)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933275 |
