| SpectraBase Spectrum ID |
9RcEJENOK23 |
| Name |
2,10-Dibromo-5,7-dioxadibenzo[A,C]cycloheptene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.889105496 u |
| Formula |
C13H8Br2O2 |
| InChI |
InChI=1S/C13H8Br2O2/c14-8-1-3-12-10(5-8)11-6-9(15)2-4-13(11)17-7-16-12/h1-6H,7H2 |
| InChIKey |
YNZLFQGEVPKYJB-UHFFFAOYSA-N |
| Molecular Weight |
356.013 g/mol |
| SMILES |
C=12C(C=3C(OCO2)=CC=C(C3)Br)=CC(=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9113 |
![2,10-Dibromo-5,7-dioxadibenzo[a,c]cycloheptene](/api/spectrum/9RcEJENOK23/structure.png?h=300&w=458 "2,10-Dibromo-5,7-dioxadibenzo[a,c]cycloheptene")
