| SpectraBase Spectrum ID |
2b23anSRR0R |
| Name |
3-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)-1-benzothiopyran-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
479.985352073 u |
| Formula |
C15H5F13OS |
| InChI |
InChI=1S/C15H5F13OS/c16-10(17,7-5-6-3-1-2-4-8(6)30-9(7)29)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h1-5H |
| InChIKey |
QCCANFRQASFQOS-UHFFFAOYSA-N |
| Molecular Weight |
480.243 g/mol |
| SMILES |
C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C=1C(SC2=C(C1)C=CC=C2)=O)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832952 |
