| SpectraBase Spectrum ID |
I0lAe1qiLln |
| Name |
(S*,1'S*,4'R*)-(3-Bromo-2-iodo-4,5-dimethoxyphenyl)(1'-methyl-2'-methylene-4'-phenethylcyclobutyl)methanol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
556.011002694 u |
| Formula |
C23H26BrIO3 |
| InChI |
InChI=1S/C23H26BrIO3/c1-14-12-16(11-10-15-8-6-5-7-9-15)23(14,2)22(26)17-13-18(27-3)21(28-4)19(24)20(17)25/h5-9,13,16,22,26H,1,10-12H2,2-4H3/t16-,22-,23-/m1/s1 |
| InChIKey |
ATVCOSGMCXGZRQ-ZGNKEGEESA-N |
| Instrument Name |
Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201604585 |
| Molecular Weight |
557.266 g/mol |
| Quality |
209 |
| Reported Formula |
C23H26(79)BrIO3 |
| SMILES |
O[C@@]([C@]1([C@@](CC1=C)(CCC1=CC=CC=C1)[H])C)(C1=C(C(=C(C(=C1)OC)OC)Br)I)[H] |
| SPLASH |
splash10-006t-1105960000-52a643ba72bdb2870bb1 |
| Sample Comments |
dr = 99:1:0:0 |
| Source of Spectrum |
QE-23-SM18-12d (DOI: 10.1002/chem.201604585) |
| Thin-Layer Chromatography |
0.24 (hexane/EtOAc, 90:10, UV, KMnO4, PAA) |
| Wiley ID |
1903853 |
