| SpectraBase Spectrum ID |
4oXPPg1aokO |
| Name |
(2S,3E,5S)-3-Bromo-5-[(2-methoxyethoxy)methoxy]-3-hexen-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.046672088 u |
| Formula |
C10H19BrO4 |
| InChI |
InChI=1S/C10H19BrO4/c1-8(6-10(11)9(2)12)15-7-14-5-4-13-3/h6,8-9,12H,4-5,7H2,1-3H3/b10-6+/t8-,9-/m0/s1 |
| InChIKey |
IBECLBFDATZRAS-PPLPVMGGSA-N |
| Molecular Weight |
283.162 g/mol |
| SMILES |
[C@@](\C(=C/[C@@](OCOCCOC)(C)[H])Br)(O)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888335 |
![(2S,3E,5S)-3-bromo-5-[(2-methoxyethoxy)methoxy]-3-hexen-2-ol](/api/spectrum/4oXPPg1aokO/structure.png?h=300&w=458 "(2S,3E,5S)-3-bromo-5-[(2-methoxyethoxy)methoxy]-3-hexen-2-ol")
