| SpectraBase Spectrum ID |
2KMBkujScj5 |
| Name |
Perfluorooctanoic acid, 4-methylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
504.020651908 u |
| Formula |
C15H7F15O2 |
| InChI |
InChI=1S/C15H7F15O2/c1-6-2-4-7(5-3-6)32-8(31)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h2-5H,1H3 |
| InChIKey |
QRFFVDHHZBINCO-UHFFFAOYSA-N |
| Molecular Weight |
504.195 g/mol |
| SMILES |
C(F)(F)(C(F)(C(F)(F)C(C(C(C(F)(F)C(=O)OC1=CC=C(C=C1)C)(F)F)(F)F)(F)F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855073 |
