| SpectraBase Spectrum ID |
5jJGcfMAb6F |
| Name |
1,4-Dimethyl-1,4-epoxy-5-fluoro-6-methoxy-1,4-dihydronaphthalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.089957820 u |
| Formula |
C13H13FO2 |
| InChI |
InChI=1S/C13H13FO2/c1-12-6-7-13(2,16-12)10-8(12)4-5-9(15-3)11(10)14/h4-7H,1-3H3 |
| InChIKey |
HTYSPFZTEVCSLE-UHFFFAOYSA-N |
| Molecular Weight |
220.243 g/mol |
| SMILES |
C12(C=CC(C=3C(=C(C=CC23)OC)F)(O1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856055 |
