| SpectraBase Spectrum ID |
7hhaIwN79Hl |
| Name |
2-Tert-butyl-4-(phenylmethyl)-6,7-di(propan-2-yloxy)-1,4-dihydroisoquinoline-3,5,8-trione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
439.235873162 u |
| Formula |
C26H33NO5 |
| InChI |
InChI=1S/C26H33NO5/c1-15(2)31-23-21(28)19-14-27(26(5,6)7)25(30)18(13-17-11-9-8-10-12-17)20(19)22(29)24(23)32-16(3)4/h8-12,15-16,18H,13-14H2,1-7H3 |
| InChIKey |
WZZFBBMMPSTFQP-UHFFFAOYSA-N |
| Molecular Weight |
439.552 g/mol |
| SMILES |
C1N(C(C(C=2C(C(=C(C(C12)=O)OC(C)C)OC(C)C)=O)CC=1C=CC=CC1)=O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880062 |
