| SpectraBase Spectrum ID |
INZhMuLtgoF |
| Name |
2,3,3A.alpha.,4.alpha.,6,11,11.alpha..beta.,11B.alpha.-Octahydro-4-(4-dimethylaminophenyl)-2-methyl-1H-pyrrolo-[3',4':3,4]pyrrolo[1,2-B]isoquinoline-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
375.194677055 u |
| Formula |
C23H25N3O2 |
| InChI |
InChI=1S/C23H25N3O2/c1-24(2)17-10-8-14(9-11-17)21-20-19(22(27)25(3)23(20)28)18-12-15-6-4-5-7-16(15)13-26(18)21/h4-11,18-21H,12-13H2,1-3H3/t18-,19-,20-,21+/m0/s1 |
| InChIKey |
ZAHNLUHMOCFKTA-XSDIEEQYSA-N |
| Molecular Weight |
375.472 g/mol |
| SMILES |
[C@]12([C@](C(=O)N(C2=O)C)([C@@](C=2C=CC(=CC2)N(C)C)(N2[C@]1(CC=1C(=CC=CC1)C2)[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921479 |
![2,3,3a.alpha.,4.alpha.,6,11,11.alpha..beta.,11b.alpha.-octahydro-4-(4-dimethylaminophenyl)-2-methyl-1H-pyrrolo-[3',4':3,4]pyrrolo[1,2-b]isoquinoline-1,3-dione](/api/spectrum/INZhMuLtgoF/structure.png?h=300&w=458 "2,3,3a.alpha.,4.alpha.,6,11,11.alpha..beta.,11b.alpha.-octahydro-4-(4-dimethylaminophenyl)-2-methyl-1H-pyrrolo-[3',4':3,4]pyrrolo[1,2-b]isoquinoline-1,3-dione")
