| SpectraBase Spectrum ID |
3tPkepjJLHw |
| Name |
2-Benzyl-1,1,3,3-tetraethyl-5,6-bis(hydroxymethyl)isoindoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.266779369 u |
| Formula |
C25H35NO2 |
| InChI |
InChI=1S/C25H35NO2/c1-5-24(6-2)22-14-20(17-27)21(18-28)15-23(22)25(7-3,8-4)26(24)16-19-12-10-9-11-13-19/h9-15,27-28H,5-8,16-18H2,1-4H3 |
| InChIKey |
KSBUVZZIILHRCR-UHFFFAOYSA-N |
| Molecular Weight |
381.560 g/mol |
| SMILES |
C1(N(C(C=2C=C(C(=CC12)CO)CO)(CC)CC)CC=1C=CC=CC1)(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868424 |
