| SpectraBase Spectrum ID |
4HydcTDV3rk |
| Name |
(1S,2R)-2-(Vinyloxy)cyclohexyl 4-bromobenzoate |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.036107404 u |
| Formula |
C15H17BrO3 |
| InChI |
InChI=1S/C15H17BrO3/c1-2-18-13-5-3-4-6-14(13)19-15(17)11-7-9-12(16)10-8-11/h2,7-10,13-14H,1,3-6H2/t13-,14+/m1/s1 |
| InChIKey |
QEZORKJKFUTWHJ-KGLIPLIRSA-N |
| Instrument Name |
Thermo Finnigan TSQ 700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202114044 |
| Molecular Weight |
325.202 g/mol |
| Optical Rotation |
[a]D23 = +2.14 (c = 0.93, CHCl3) |
| Quality |
222 |
| Reported Formula |
C15H17BrO3 |
| SMILES |
[C@]1([C@](CCCC1)(OC(C1=CC=C(C=C1)Br)=O)[H])(OC=C)[H] |
| SPLASH |
splash10-001i-0910000000-65ce856087c9a8496768 |
| Sample Comments |
90% ee |
| Source of Spectrum |
ACI-61-SM21-S26 (DOI: 10.1002/anie.202114044) |
| Thin-Layer Chromatography |
0.6 (n-pentane/Et2O, 5:1, 1% (V/V) NEt3) |
| Wiley ID |
1897707 |
