| SpectraBase Compound ID | 3s8j6MHr3Ba |
|---|---|
| InChI | InChI=1S/C17H6F16O6/c18-12(19,16(28,29)30)7(35)11(5-1-3-6(34)4-2-5,39-10(37)13(20,21)17(31,32)33)9(36)38-8(14(22,23)24)15(25,26)27/h1-4,8,34H |
| InChIKey | HPPDSSIMZAYLSN-UHFFFAOYSA-N |
| Mol Weight | 610.2 g/mol |
| Molecular Formula | C17H6F16O6 |
| Exact Mass | 609.990889 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D0Ton8x74vn |
|---|---|
| Name | Phma-hfip-di-pfp |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 609.990888515 u |
| Formula | C17H6F16O6 |
| InChI | InChI=1S/C17H6F16O6/c18-12(19,16(28,29)30)7(35)11(5-1-3-6(34)4-2-5,39-10(37)13(20,21)17(31,32)33)9(36)38-8(14(22,23)24)15(25,26)27/h1-4,8,34H |
| InChIKey | HPPDSSIMZAYLSN-UHFFFAOYSA-N |
| Molecular Weight | 610.203 g/mol |
| SMILES | C(C(C(C(F)(F)F)(F)F)=O)(C(OC(C(F)(F)F)C(F)(F)F)=O)(OC(C(C(F)(F)F)(F)F)=O)C1=CC=C(C=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958227 |