| SpectraBase Spectrum ID |
21xVcHxIzw |
| Name |
3-Bromobarekoxide |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H33BrO |
| InChI |
InChI=1S/C20H33BrO/c1-17(2)13-6-9-18(3)12-16-20(5,22-16)11-7-14(18)19(13,4)10-8-15(17)21/h13-16H,6-12H2,1-5H3/t13-,14-,15-,16+,18-,19-,20-/m0/s1 |
| InChIKey |
XGMCPPZMRUYEQT-XLXYOEISSA-N |
| Instrument Name |
Hitachi M-2500 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np000638o |
| Molecular Weight |
369.387 g/mol |
| Optical Rotation |
[a]D27 = +6.18 (c = 0.3, CHCl3) |
| SMILES |
C1C[C@]2([C@](C([C@]1(Br)[H])(C)C)(CC[C@@]1([C@@]2(CC[C@]2([C@@](C1)(O2)[H])C)[H])C)[H])C |
| SPLASH |
splash10-01ca-9521000000-fefbcacc3e53f7f2606e |
| Source of Spectrum |
G4-64-699-11 |
| Wiley ID |
1883200 |
