| SpectraBase Spectrum ID |
996T50l7mV4 |
| Name |
(3aS,5R,7aR)-5-isothiocyanato-2-phenyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione |
| CAS Registry Number |
112127-28-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H12N2O2S |
| InChI |
InChI=1S/C15H12N2O2S/c18-14-12-7-6-10(16-9-20)8-13(12)15(19)17(14)11-4-2-1-3-5-11/h1-7,10,12-13H,8H2/t10-,12+,13-/m0/s1 |
| InChIKey |
YLFGZBPKUHRNNV-UHTWSYAYSA-N |
| Molecular Weight |
284.333 g/mol |
| SMILES |
C1(N(C([C@@]2(C=C[C@@](C[C@]12[H])(N=C=S)[H])[H])=O)c1ccccc1)=O |
| SPLASH |
splash10-004i-9140000000-410b3d3919bf806a053d |
| Source of Spectrum |
H-69-1912-16 |
| Synonyms |
(3aS,5R,7aR)-5-isothiocyanato-2-phenyl-3a,4,5,7a-tetrahydroisoindole-1,3-quinone |
| Wiley ID |
1287700 |
