| SpectraBase Spectrum ID |
9I8D5IE4eXr |
| Name |
Terephthalic acid, allyl 4-fluoro-2-methoxyphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.090351741 u |
| Formula |
C18H15FO5 |
| InChI |
InChI=1S/C18H15FO5/c1-3-10-23-17(20)12-4-6-13(7-5-12)18(21)24-15-9-8-14(19)11-16(15)22-2/h3-9,11H,1,10H2,2H3 |
| InChIKey |
JQUYCQXZKXMLAU-UHFFFAOYSA-N |
| Molecular Weight |
330.311 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCC=C)=O)C(OC1=C(C=C(C=C1)F)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918069 |
