| SpectraBase Spectrum ID |
66jiEPBh6tg |
| Name |
Terephthalic acid, 2-bromo-4-fluorophenyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.037250219 u |
| Formula |
C19H18BrFO4 |
| InChI |
InChI=1S/C19H18BrFO4/c1-2-3-4-11-24-18(22)13-5-7-14(8-6-13)19(23)25-17-10-9-15(21)12-16(17)20/h5-10,12H,2-4,11H2,1H3 |
| InChIKey |
RRCZPYREFLDTED-UHFFFAOYSA-N |
| Molecular Weight |
409.251 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCCCC)=O)C(OC1=CC=C(C=C1Br)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881277 |
