| SpectraBase Spectrum ID |
FvRc7NaWWTd |
| Name |
(Z)-1-Benzylidene-4-fluoro-1,3-dihydroisobenzofuran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.079393136 u |
| Formula |
C15H11FO |
| InChI |
InChI=1S/C15H11FO/c16-14-8-4-7-12-13(14)10-17-15(12)9-11-5-2-1-3-6-11/h1-9H,10H2/b15-9- |
| InChIKey |
VGWIBNQCAKECPG-DHDCSXOGSA-N |
| Molecular Weight |
226.250 g/mol |
| SMILES |
C1O\C(C=2C=CC=C(C12)F)=C\C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875275 |
