| SpectraBase Spectrum ID |
AQ7L1XxCU4L |
| Name |
Dimethyl 1-bromo-5,6-dimethylene-7-oxabicyclo[2.2.1]heptane-2-endo,3-endo-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.994636514 u |
| Formula |
C12H13BrO5 |
| InChI |
InChI=1S/C12H13BrO5/c1-5-6(2)12(13)8(11(15)17-4)7(9(5)18-12)10(14)16-3/h7-9H,1-2H2,3-4H3 |
| InChIKey |
RLBPMOCBCFEJDZ-UHFFFAOYSA-N |
| Molecular Weight |
317.135 g/mol |
| SMILES |
C12(C(C(C(=O)OC)C(O2)C(C1=C)=C)C(=O)OC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906415 |
![Dimethyl 1-bromo-5,6-dimethylene-7-oxabicyclo[2.2.1]heptane-2-endo,3-endo-dicarboxylate](/api/spectrum/AQ7L1XxCU4L/structure.png?h=300&w=458 "Dimethyl 1-bromo-5,6-dimethylene-7-oxabicyclo[2.2.1]heptane-2-endo,3-endo-dicarboxylate")
