| SpectraBase Spectrum ID |
68mjOsobsKp |
| Name |
(1R,10Br)-(+)-1-[1,3-dithian-2-yl]-8,9-dimethoxy-10B-methyl-1,5,6,10B-tetrahydropyrrolo[2,1-A]isoquinolin-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.127586014 u |
| Formula |
C19H25NO3S2 |
| InChI |
InChI=1S/C19H25NO3S2/c1-19-13-10-16(23-3)15(22-2)9-12(13)5-6-20(19)17(21)11-14(19)18-24-7-4-8-25-18/h9-10,14,18H,4-8,11H2,1-3H3/t14-,19-/m0/s1 |
| InChIKey |
XDSPOCSDLHLMJO-LIRRHRJNSA-N |
| Molecular Weight |
379.533 g/mol |
| SMILES |
[C@]12([C@@](CC(N2CCC2=C1C=C(C(OC)=C2)OC)=O)(C1SCCCS1)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945906 |
![(1R,10bR)-(+)-1-[1,3-Dithian-2-yl]-8,9-dimethoxy-10b-methyl-1,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one](/api/spectrum/68mjOsobsKp/structure.png?h=300&w=458 "(1R,10bR)-(+)-1-[1,3-Dithian-2-yl]-8,9-dimethoxy-10b-methyl-1,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one")
