| SpectraBase Spectrum ID |
I5xqDNTsl8f |
| Name |
Butyric acid, 4-(5-fluoro-2,3-dimethoxyphenyl)-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.126737251 u |
| Formula |
C14H19FO4 |
| InChI |
InChI=1S/C14H19FO4/c1-4-19-14(16)7-5-6-10-8-12(17-2)13(18-3)9-11(10)15/h8-9H,4-7H2,1-3H3 |
| InChIKey |
QJLJSPOKFKBCOI-UHFFFAOYSA-N |
| Molecular Weight |
270.300 g/mol |
| SMILES |
C1(=C(C=C(C(=C1)OC)OC)CCCC(=O)OCC)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924016 |
