| SpectraBase Spectrum ID |
4s3syeSK0Bv |
| Name |
Terephthalic acid, 2,2,3,3,3-pentafluoropropyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.104699838 u |
| Formula |
C16H17F5O4 |
| InChI |
InChI=1S/C16H17F5O4/c1-2-3-4-9-24-13(22)11-5-7-12(8-6-11)14(23)25-10-15(17,18)16(19,20)21/h5-8H,2-4,9-10H2,1H3 |
| InChIKey |
SUVYUVYOFPBVJJ-UHFFFAOYSA-N |
| Molecular Weight |
368.300 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCCCC)=O)C(OCC(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819772 |
