| SpectraBase Spectrum ID |
JrEDutWKlDH |
| Name |
(3A.alpha.,4.alpha.,7.alpha.,7A.alpha.,8R)-8-Chloro-3A,4,7,7A-tetrahydro-2-phenyl-4,7-methano-1H-isoindole-1,3(2H)-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
273.055656328 u |
| Formula |
C15H12ClNO2 |
| InChI |
InChI=1S/C15H12ClNO2/c16-13-9-6-7-10(13)12-11(9)14(18)17(15(12)19)8-4-2-1-3-5-8/h1-7,9-13H/t9-,10+,11+,12-,13+ |
| InChIKey |
ZEMRZZQYRWZPLV-PNWMVKDVSA-N |
| SMILES |
C1(N(C([C@]2([C@]3(C=C[C@@]([C@@]12[H])([C@]3(Cl)[H])[H])[H])[H])=O)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883487 |
