| SpectraBase Spectrum ID |
LbtCs4Lgs1J |
| Name |
7,8-Dihydro-5-[p-(isopropylsulfonyl)phenyl]-1,3-dioxolo[4,5-G]isoquinoline, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
393.080156998 u |
| Formula |
C19H20ClNO4S |
| InChI |
InChI=1S/C19H19NO4S.ClH/c1-12(2)25(21,22)15-5-3-13(4-6-15)19-16-10-18-17(23-11-24-18)9-14(16)7-8-20-19;/h3-6,9-10,12H,7-8,11H2,1-2H3;1H |
| InChIKey |
GHFXKGOGLLFCGW-UHFFFAOYSA-N |
| Molecular Weight |
393.885 g/mol |
| SMILES |
Cl.C=12C=C3OCOC3=CC1C(=NCC2)C=1C=CC(=CC1)S(=O)(=O)C(C)C |
| Spectrum/Structure Validation Score (Raman) |
0.77184 |
![7,8-Dihydro-5-[p-(isopropylsulfonyl)phenyl]-1,3-dioxolo[4,5-G]isoquinoline, hydrochloride](/api/spectrum/LbtCs4Lgs1J/structure.png?h=300&w=458 "7,8-Dihydro-5-[p-(isopropylsulfonyl)phenyl]-1,3-dioxolo[4,5-G]isoquinoline, hydrochloride")
