| SpectraBase Spectrum ID |
1qTn22l200B |
| Name |
5,5-Diphenyl-3-(hydroxymethyl)hydantoin, nonanoate (ester) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.220557450 u |
| Formula |
C25H30N2O4 |
| InChI |
InChI=1S/C25H30N2O4/c1-2-3-4-5-6-13-18-22(28)31-19-27-23(29)25(26-24(27)30,20-14-9-7-10-15-20)21-16-11-8-12-17-21/h7-12,14-17H,2-6,13,18-19H2,1H3,(H,26,30) |
| InChIKey |
KSJTZYCQTWPHLZ-UHFFFAOYSA-N |
| Molecular Weight |
422.525 g/mol |
| SMILES |
N1C(C(N(C1=O)COC(CCCCCCCC)=O)=O)(C1=CC=CC=C1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) |
0.877183 |
