| SpectraBase Spectrum ID |
3LlqpKHdlPl |
| Name |
(E,2S)-4-Bromanyl-2-[(2R,4R)-4-bromanyl-5,5-dimethyl-oxolan-2-yl]but-3-en-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.951705753 u |
| Formula |
C10H16Br2O2 |
| InChI |
InChI=1S/C10H16Br2O2/c1-9(2)7(12)6-8(14-9)10(3,13)4-5-11/h4-5,7-8,13H,6H2,1-3H3/b5-4+/t7-,8-,10+/m1/s1 |
| InChIKey |
UIVSTSHQZIFSSM-TWFYULLRSA-N |
| Molecular Weight |
328.044 g/mol |
| SMILES |
[C@@]1(OC([C@@](C1)(Br)[H])(C)C)([C@](\C=C\Br)(O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877711 |
![(E,2S)-4-bromanyl-2-[(2R,4R)-4-bromanyl-5,5-dimethyl-oxolan-2-yl]but-3-en-2-ol](/api/spectrum/3LlqpKHdlPl/structure.png?h=300&w=458 "(E,2S)-4-bromanyl-2-[(2R,4R)-4-bromanyl-5,5-dimethyl-oxolan-2-yl]but-3-en-2-ol")
