| SpectraBase Spectrum ID |
HPHn6O0XOPC |
| Name |
3-Tert-butyl-2-(4-nitrophenyl)-8A-phenylindolizin-1(8ah)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.163042573 u |
| Formula |
C24H22N2O3 |
| InChI |
InChI=1S/C24H22N2O3/c1-23(2,3)21-20(17-11-13-19(14-12-17)26(28)29)22(27)24(15-7-8-16-25(21)24)18-9-5-4-6-10-18/h4-16H,1-3H3 |
| InChIKey |
VSBPIARGWSNHRA-UHFFFAOYSA-N |
| Molecular Weight |
386.451 g/mol |
| SMILES |
C=1C=CN2C(=C(C(C2(C1)C1=CC=CC=C1)=O)C1=CC=C(C=C1)[N+](=O)[O-])C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841702 |
