| SpectraBase Spectrum ID |
95grhphxO98 |
| Name |
3,5-Methano-2H-cyclopenta[B]furan-2,4(5H)-dione, 6-bromo-3,3A,6,6A-tetrahydro-, (3R,3A-trans,5-cis,6-trans,6A-trans)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.957857082 u |
| Formula |
C8H7BrO3 |
| InChI |
InChI=1S/C8H7BrO3/c9-5-3-1-2-4(6(3)10)7(5)12-8(2)11/h2-5,7H,1H2 |
| InChIKey |
QAPMQIVSRPIIEJ-UHFFFAOYSA-N |
| Molecular Weight |
231.045 g/mol |
| SMILES |
C12C3C(Br)C(C2=O)CC1C(O3)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965911 |
![3,5-Methano-2H-cyclopenta[B]furan-2,4(5H)-dione, 6-bromo-3,3A,6,6A-tetrahydro-, (3R,3A-trans,5-cis,6-trans,6A-trans)-](/api/spectrum/95grhphxO98/structure.png?h=300&w=458 "3,5-Methano-2H-cyclopenta[B]furan-2,4(5H)-dione, 6-bromo-3,3A,6,6A-tetrahydro-, (3R,3A-trans,5-cis,6-trans,6A-trans)-")
