| SpectraBase Spectrum ID |
BsAJPSBtMgF |
| Name |
2-(4-Chlorophenyl)-8A-methyl-3-phenylindolizin-1(8ah)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.092041838 u |
| Formula |
C21H16ClNO |
| InChI |
InChI=1S/C21H16ClNO/c1-21-13-5-6-14-23(21)19(16-7-3-2-4-8-16)18(20(21)24)15-9-11-17(22)12-10-15/h2-14H,1H3 |
| InChIKey |
MIAVDDYMYCADQO-UHFFFAOYSA-N |
| Molecular Weight |
333.818 g/mol |
| SMILES |
C=1C=CN2C(=C(C3=CC=C(C=C3)Cl)C(C2(C1)C)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844645 |
