| SpectraBase Spectrum ID |
KLi0MagEwSx |
| Name |
6,7-bis(Heptafluorobutyryloxy)coumarin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
569.978432125 u |
| Formula |
C17H4F14O6 |
| InChI |
InChI=1S/C17H4F14O6/c18-12(19,14(22,23)16(26,27)28)10(33)36-7-3-5-1-2-9(32)35-6(5)4-8(7)37-11(34)13(20,21)15(24,25)17(29,30)31/h1-4H |
| InChIKey |
BQTFIFFILPLIPB-UHFFFAOYSA-N |
| Molecular Weight |
570.191 g/mol |
| SMILES |
C1(=C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C=C2C(=C1)OC(=O)C=C2)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840295 |
