| SpectraBase Spectrum ID |
4mb9dU06L04 |
| Name |
2-Iodo-1,5-dimethyl-3-phenoxybenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.001110038 u |
| Formula |
C14H13IO |
| InChI |
InChI=1S/C14H13IO/c1-10-8-11(2)14(15)13(9-10)16-12-6-4-3-5-7-12/h3-9H,1-2H3 |
| InChIKey |
WWQMOTAFVIMQLE-UHFFFAOYSA-N |
| Molecular Weight |
324.161 g/mol |
| SMILES |
C=1(C=C(C(=C(C1)C)I)OC1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878919 |
