| SpectraBase Spectrum ID |
D32nwsijtX6 |
| Name |
(3S,4R,5R,6R)-4-Bromo-2-hydroxymethyl-5,6-(cyclohexan-1,1-diyldioxy)cyclohexen-3-ol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H19BrO4 |
| InChI |
InChI=1S/C13H19BrO4/c14-10-11(16)8(7-15)6-9-12(10)18-13(17-9)4-2-1-3-5-13/h6,9-12,15-16H,1-5,7H2/t9-,10-,11+,12-/m1/s1 |
| InChIKey |
BWMQEFREMIJTDN-WISYIIOYSA-N |
| Molecular Weight |
319.195 g/mol |
| SMILES |
O[C@]1(C(CO)=C[C@@]2([C@]([C@@]1(Br)[H])(OC1(O2)CCCCC1)[H])[H])[H] |
| SPLASH |
splash10-006t-8009000000-0c9b86ca49cf8d57f2ca |
| Source of Spectrum |
AT-41-2033-6 |
| Wiley ID |
854794 |
