| SpectraBase Spectrum ID |
DsZrTrLwPuO |
| Name |
2-Ethylhydroquinone, bis(heptafluorobutyrate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
530.019903016 u |
| Formula |
C16H8F14O4 |
| InChI |
InChI=1S/C16H8F14O4/c1-2-6-5-7(33-9(31)11(17,18)13(21,22)15(25,26)27)3-4-8(6)34-10(32)12(19,20)14(23,24)16(28,29)30/h3-5H,2H2,1H3 |
| InChIKey |
RKWBMEIBKRKYOT-UHFFFAOYSA-N |
| Molecular Weight |
530.214 g/mol |
| SMILES |
C(C)C1=C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C=CC(=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886942 |
