| SpectraBase Spectrum ID |
AGlFLEoVIBc |
| Name |
(1R,2'R,4R)-2'-bromo-4-methyl-4-phenyl-3',4'-dihydro-2'H-spiro[cyclopentane-1,1'-naphthalen]-2-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H21BrO |
| InChI |
InChI=1S/C21H21BrO/c1-20(16-8-3-2-4-9-16)13-19(23)21(14-20)17-10-6-5-7-15(17)11-12-18(21)22/h2-10,18H,11-14H2,1H3/t18-,20+,21+/m1/s1 |
| InChIKey |
XIVVWYISQHDIMK-GIVPXCGWSA-N |
| Instrument Name |
Agilent 7890A-5975C GC |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.1c02699 |
| Molecular Weight |
369.302 g/mol |
| Optical Rotation |
[a]D20 = +20.0 (c = 0.3, CHCl3) |
| Reported Formula |
C21H22OBr |
| SMILES |
C1[C@@](CC([C@]11c2c(CC[C@]1(Br)[H])cccc2)=O)(C)c1ccccc1 |
| SPLASH |
splash10-0006-0920000000-38f3d591cf73122f55d6 |
| Sample Comments |
90% ee, dr >20:1 |
| Source of Spectrum |
JOC-87-SM36-3m |
| Thin-Layer Chromatography |
Rf = 0.38 (PE/EtOAc, 95:5) |
| Wiley ID |
1884224 |
![(1R,2'R,4R)-2'-bromo-4-methyl-4-phenyl-3',4'-dihydro-2'H-spiro[cyclopentane-1,1'-naphthalen]-2-one](/api/spectrum/AGlFLEoVIBc/structure.png?h=300&w=458 "(1R,2'R,4R)-2'-bromo-4-methyl-4-phenyl-3',4'-dihydro-2'H-spiro[cyclopentane-1,1'-naphthalen]-2-one")
