| SpectraBase Spectrum ID |
A6cNeUKfrRI |
| Name |
6-Bromo-7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1,4-benzodioxine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.999721895 u |
| Formula |
C16H13BrO4 |
| InChI |
InChI=1S/C16H13BrO4/c17-12-9-16-15(20-5-6-21-16)8-11(12)10-1-2-13-14(7-10)19-4-3-18-13/h1-2,7-9H,3-6H2 |
| InChIKey |
QYMRFFCPNFMODV-UHFFFAOYSA-N |
| Molecular Weight |
349.180 g/mol |
| SMILES |
C1=C2C(OCCO2)=CC(=C1C1=CC=C2OCCOC2=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971128 |
