| SpectraBase Spectrum ID |
3gjzWzcJgSB |
| Name |
1-(2,3-Dihydro-1,4-benzodioxin-7-yl)-2-iodoethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.959639147 u |
| Formula |
C10H9IO3 |
| InChI |
InChI=1S/C10H9IO3/c11-6-8(12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5H,3-4,6H2 |
| InChIKey |
ZFBXVTNTDRBIMW-UHFFFAOYSA-N |
| Molecular Weight |
304.083 g/mol |
| SMILES |
C=12OCCOC1C=CC(=C2)C(=O)CI |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948804 |
