| SpectraBase Spectrum ID |
EqSVaKtc2no |
| Name |
(2E)-2-(4-Fluorobenzylidene)dec-3-ynoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.152558077 u |
| Formula |
C18H21FO2 |
| InChI |
InChI=1S/C18H21FO2/c1-3-4-5-6-7-8-9-16(18(20)21-2)14-15-10-12-17(19)13-11-15/h10-14H,3-7H2,1-2H3/b16-14+ |
| InChIKey |
BQTBNTYASBUHEC-JQIJEIRASA-N |
| Molecular Weight |
288.362 g/mol |
| SMILES |
C(\C(C(=O)OC)=C/C1=CC=C(C=C1)F)#CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926155 |
