| SpectraBase Spectrum ID |
K9QoE1dF9Jo |
| Name |
Durene-.alpha.1,.alpha.2-dithiol, S,S'-bis(heptafluorobutyryl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
590.005516254 u |
| Formula |
C18H12F14O2S2 |
| InChI |
InChI=1S/C18H12F14O2S2/c1-7-3-9(5-35-11(33)13(19,20)15(23,24)17(27,28)29)10(4-8(7)2)6-36-12(34)14(21,22)16(25,26)18(30,31)32/h3-4H,5-6H2,1-2H3 |
| InChIKey |
PGOSGRTZKRPFHY-UHFFFAOYSA-N |
| Molecular Weight |
590.390 g/mol |
| SMILES |
C(SC(=O)C(C(C(F)(F)F)(F)F)(F)F)C1=C(C=C(C(=C1)C)C)CSC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955042 |
