| SpectraBase Spectrum ID |
KDL2cFzMG5a |
| Name |
Methyl 6-(3-chloro-4-fluorophenyl)-5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.056799143 u |
| Formula |
C16H13ClFNO3 |
| InChI |
InChI=1S/C16H13ClFNO3/c1-22-16(21)11-8-10(9-4-5-13(18)12(17)7-9)15(20)19-6-2-3-14(11)19/h4-5,7-8H,2-3,6H2,1H3 |
| InChIKey |
MIPHODZBOUQPAD-UHFFFAOYSA-N |
| Molecular Weight |
321.735 g/mol |
| SMILES |
C1CCN2C1=C(C=C(C2=O)C1=CC(=C(C=C1)F)Cl)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84448 |
