| SpectraBase Compound ID | IJFAVhUbdBW |
|---|---|
| InChI | InChI=1S/C15H9FO2/c16-12-6-3-5-10(8-12)13-9-11-4-1-2-7-14(11)18-15(13)17/h1-9H |
| InChIKey | WSIMXDMBIAIDCG-UHFFFAOYSA-N |
| Mol Weight | 240.23 g/mol |
| Molecular Formula | C15H9FO2 |
| Exact Mass | 240.058658 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J5TtJt33zIb |
|---|---|
| Name | 3-(3-Fluorophenyl)coumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.058657691 u |
| Formula | C15H9FO2 |
| InChI | InChI=1S/C15H9FO2/c16-12-6-3-5-10(8-12)13-9-11-4-1-2-7-14(11)18-15(13)17/h1-9H |
| InChIKey | WSIMXDMBIAIDCG-UHFFFAOYSA-N |
| Molecular Weight | 240.233 g/mol |
| SMILES | C=1(C(OC2=C(C1)C=CC=C2)=O)C=1C=C(F)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94295 |