| SpectraBase Spectrum ID |
LorvO5iP6mP |
| Name |
1-(5-Bromanyl-3-iodanyl-2-oxidanyl-4-phenoxy-phenyl)ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.885802179 u |
| Formula |
C14H10BrIO3 |
| InChI |
InChI=1S/C14H10BrIO3/c1-8(17)10-7-11(15)14(12(16)13(10)18)19-9-5-3-2-4-6-9/h2-7,18H,1H3 |
| InChIKey |
YYYXVBGZJPPVPR-UHFFFAOYSA-N |
| Molecular Weight |
433.039 g/mol |
| SMILES |
C=1(C(=C(O)C(=CC1Br)C(=O)C)I)OC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888595 |
