| SpectraBase Spectrum ID |
GvhaNe7lXP6 |
| Name |
Terephthalic acid, 4-fluoro-2-methoxyphenyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.106001805 u |
| Formula |
C18H17FO5 |
| InChI |
InChI=1S/C18H17FO5/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/h4-9,11H,3,10H2,1-2H3 |
| InChIKey |
OEGDICHOJHOVDU-UHFFFAOYSA-N |
| Molecular Weight |
332.327 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCC)=O)C(OC1=C(C=C(C=C1)F)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907974 |
