| SpectraBase Spectrum ID |
11egCgY6tm0 |
| Name |
2-Fluorobenzoic acid, hex-4-yn-3-yl ester |
| 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/c1-3-7-10(4-2)16-13(15)11-8-5-6-9-12(11)14/h5-6,8-10H,4H2,1-2H3 |
| InChIKey |
QOVPBZHWPOQSDK-UHFFFAOYSA-N |
| Molecular Weight |
220.243 g/mol |
| SMILES |
C1(=CC=CC=C1C(OC(CC)C#CC)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908878 |
