| SpectraBase Spectrum ID |
FdKmrZgYR1p |
| Name |
2-[(3S)-5-bromo-3-methyl-2-oxo-indolin-3-yl]naphthalene-1,4-dione (Autogeenrated) |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H12BrNO3 |
| InChI |
InChI=1S/C19H12BrNO3/c1-19(13-8-10(20)6-7-15(13)21-18(19)24)14-9-16(22)11-4-2-3-5-12(11)17(14)23/h2-9H,1H3,(H,21,24)/t19-/m0/s1 |
| InChIKey |
ONFWCQXQFTYFFL-IBGZPJMESA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.8.157 |
| Molecular Weight |
382.213 g/mol |
| Optical Rotation |
[a]25D = -5.227 (c = 0.53, acetone) |
| Reported Formula |
C19H12NO3(79)Br |
| SMILES |
N1C([C@@](c2cc(ccc12)Br)(C1=CC(=O)c2c(C1=O)cccc2)C)=O |
| SPLASH |
splash10-0kwr-3629000000-b569f9a3443862284952 |
| Sample Comments |
19% ee |
| Source of Spectrum |
BJO-8-SM9-3l |
| Wiley ID |
1864958 |
![2-[(3S)-5-bromo-3-methyl-2-oxo-indolin-3-yl]naphthalene-1,4-dione (Autogeenrated)](/api/spectrum/FdKmrZgYR1p/structure.png?h=300&w=458 "2-[(3S)-5-bromo-3-methyl-2-oxo-indolin-3-yl]naphthalene-1,4-dione (Autogeenrated)")
