| SpectraBase Spectrum ID |
JGocrmsFubc |
| Name |
2,5-Piperazinedione, 3-hydroxy-1,4-dimethyl-3-(phenylmethyl)-6-(phenylmethylene)-, (Z)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.147392509 u |
| Formula |
C20H20N2O3 |
| InChI |
InChI=1S/C20H20N2O3/c1-21-17(13-15-9-5-3-6-10-15)18(23)22(2)20(25,19(21)24)14-16-11-7-4-8-12-16/h3-13,25H,14H2,1-2H3/b17-13- |
| InChIKey |
PEHYKVLFRHRABD-LGMDPLHJSA-N |
| Molecular Weight |
336.391 g/mol |
| SMILES |
C1(N(C(=O)\C(N(C1=O)C)=C\C=1C=CC=CC1)C)(CC=1C=CC=CC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914473 |
