| SpectraBase Spectrum ID |
L8BHarKaukt |
| Name |
(2R*,3S*)-2-Ethenyltetrahydropyran-3-yl p-bromobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.020457340 u |
| Formula |
C14H15BrO3 |
| InChI |
InChI=1S/C14H15BrO3/c1-2-12-13(4-3-9-17-12)18-14(16)10-5-7-11(15)8-6-10/h2,5-8,12-13H,1,3-4,9H2/t12-,13+/m1/s1 |
| InChIKey |
HVYHLSPQJIVCJV-OLZOCXBDSA-N |
| Molecular Weight |
311.175 g/mol |
| SMILES |
C(O[C@@]1([C@](OCCC1)(C=C)[H])[H])(C=1C=CC(=CC1)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849961 |
