| SpectraBase Spectrum ID |
6hjRm639ZkW |
| Name |
2-((1R,2R)-2-(Vinyloxy)cyclohexyl)isoindoline-1,3-dione |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
271.120843408 u |
| Formula |
C16H17NO3 |
| InChI |
InChI=1S/C16H17NO3/c1-2-20-14-10-6-5-9-13(14)17-15(18)11-7-3-4-8-12(11)16(17)19/h2-4,7-8,13-14H,1,5-6,9-10H2/t13-,14-/m1/s1 |
| InChIKey |
BDICGBSBHAPZAC-ZIAGYGMSSA-N |
| Instrument Name |
Thermo Finnigan TSQ 700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202114044 |
| Optical Rotation |
[a]D23 = +15.5 (c = 0.85, CHCl3) |
| Quality |
120 |
| SMILES |
[C@]1([C@@](CCCC1)(N1C(C2=C(C1=O)C=CC=C2)=O)[H])(OC=C)[H] |
| SPLASH |
splash10-004i-0090000000-08d8a9db69694995d560 |
| Sample Comments |
91% ee |
| Source of Spectrum |
ACI-61-SM25-(R,R)-7 (DOI: 10.1002/anie.202114044) |
| Thin-Layer Chromatography |
0.4 (n-pentane/EtOAc, 4:1, 1% (V/V) NEt3) |
| Wiley ID |
1897706 |
