| SpectraBase Spectrum ID |
F7ZMqZugDLF |
| Name |
(1S,2S,10Br)-3-oxo-5-methyl-3H-1,2,4,5,6,10B-hexahydrobenzo[G]indolizine-1,2-dicarboxylic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.126322711 u |
| Formula |
C17H19NO5 |
| InChI |
InChI=1S/C17H19NO5/c1-9-8-10-6-4-5-7-11(10)14-12(16(20)22-2)13(17(21)23-3)15(19)18(9)14/h4-7,9,12-14H,8H2,1-3H3/t9?,12-,13-,14-/m0/s1 |
| InChIKey |
RYMTVQBGAZPJGZ-XEYOOUFMSA-N |
| Molecular Weight |
317.341 g/mol |
| SMILES |
C1(N2[C@]([C@]([C@@]1(C(=O)OC)[H])(C(=O)OC)[H])(C1=CC=CC=C1CC2C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960547 |
![(1S,2S,10bR)-3-oxo-5-methyl-3H-1,2,4,5,6,10b-hexahydrobenzo[g]indolizine-1,2-dicarboxylic acid dimethyl ester](/api/spectrum/F7ZMqZugDLF/structure.png?h=300&w=458 "(1S,2S,10bR)-3-oxo-5-methyl-3H-1,2,4,5,6,10b-hexahydrobenzo[g]indolizine-1,2-dicarboxylic acid dimethyl ester")
