| SpectraBase Spectrum ID |
q0ITHKTbSm |
| Name |
2-Oxo-3a-[3,4-(dimethoxy)phenyl]-6-acetoxy-7-bromo-2,3,3a,4,5,6,7,7a-octahydroindole |
| Alternate Name(s) |
7-bromo-3a-(3,4-dimethoxyphenyl)-2-oxooctahydro-1H-indol-6-yl acetate |
| CAS Registry Number |
80516-02-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22BrNO5 |
| InChI |
InChI=1S/C18H22BrNO5/c1-10(21)25-13-6-7-18(9-15(22)20-17(18)16(13)19)11-4-5-12(23-2)14(8-11)24-3/h4-5,8,13,16-17H,6-7,9H2,1-3H3,(H,20,22) |
| InChIKey |
AEBLMPKSFCOUDT-UHFFFAOYSA-N |
| Molecular Weight |
412.280 g/mol |
| SMILES |
N1C(CC2(C1C(C(CC2)OC(=O)C)Br)c1cc(OC)c(cc1)OC)=O |
| SPLASH |
splash10-03di-0000900000-01e450273a8b9e173df4 |
| Source of Spectrum |
J-47-1308-0 |
| Wiley ID |
1374018 |
![2-Oxo-3a-[3,4-(dimethoxy)phenyl]-6-acetoxy-7-bromo-2,3,3a,4,5,6,7,7a-octahydroindole](/api/spectrum/q0ITHKTbSm/structure.png?h=300&w=458 "2-Oxo-3a-[3,4-(dimethoxy)phenyl]-6-acetoxy-7-bromo-2,3,3a,4,5,6,7,7a-octahydroindole")
