| SpectraBase Spectrum ID |
7AwT3tQgb5x |
| Name |
4-Benzoyl-1,3-phenylene bis(2,2,3,3,4,4,4-heptafluorobutanoate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
606.014817635 u |
| Formula |
C21H8F14O5 |
| InChI |
InChI=1S/C21H8F14O5/c22-16(23,18(26,27)20(30,31)32)14(37)39-10-6-7-11(13(36)9-4-2-1-3-5-9)12(8-10)40-15(38)17(24,25)19(28,29)21(33,34)35/h1-8H |
| InChIKey |
BUYBTEPEXLNDGZ-UHFFFAOYSA-N |
| Molecular Weight |
606.268 g/mol |
| SMILES |
C(C1=C(C=C(C=C1)OC(C(C(F)(F)C(F)(F)F)(F)F)=O)OC(C(C(F)(F)C(F)(F)F)(F)F)=O)(C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978411 |
