| SpectraBase Spectrum ID |
1XKeiTvlDIH |
| Name |
3-Butyl-8A-methyl-2-(4-nitrophenyl)indolizin-1(8ah)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.147392509 u |
| Formula |
C19H20N2O3 |
| InChI |
InChI=1S/C19H20N2O3/c1-3-4-7-16-17(14-8-10-15(11-9-14)21(23)24)18(22)19(2)12-5-6-13-20(16)19/h5-6,8-13H,3-4,7H2,1-2H3 |
| InChIKey |
FISNNDPHFDAOMN-UHFFFAOYSA-N |
| Molecular Weight |
324.380 g/mol |
| SMILES |
C=1C=CN2C(CCCC)=C(C3=CC=C(C=C3)[N+](=O)[O-])C(C2(C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854042 |
