| SpectraBase Spectrum ID |
9eYk5WdwE99 |
| Name |
1,6-Diphenyl-trans-3,4-dibromo-7-oxabicyclo[4.1.0]heptane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.956791134 u |
| Formula |
C18H16Br2O |
| InChI |
InChI=1S/C18H16Br2O/c19-15-11-17(13-7-3-1-4-8-13)18(21-17,12-16(15)20)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15?,16?,17-,18-/m1/s1 |
| InChIKey |
PVCVJSYFLCVNRN-OPQOLIRYSA-N |
| Molecular Weight |
408.133 g/mol |
| SMILES |
[C@@]12([C@@](CC(C(C2)Br)Br)(C2=CC=CC=C2)O1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95322 |
![1,6-Diphenyl-trans-3,4-dibromo-7-oxabicyclo[4.1.0]heptane](/api/spectrum/9eYk5WdwE99/structure.png?h=300&w=458 "1,6-Diphenyl-trans-3,4-dibromo-7-oxabicyclo[4.1.0]heptane")
