| SpectraBase Compound ID | 21EQgfyqeAx |
|---|---|
| InChI | InChI=1S/C17H8F14O6/c1-36-9(34)11(6-3-2-4-7(32)5-6,8(33)12(18,19)14(22,23)16(26,27)28)37-10(35)13(20,21)15(24,25)17(29,30)31/h2-5,32H,1H3 |
| InChIKey | BEYRVDKUSKXMNE-UHFFFAOYSA-N |
| Mol Weight | 574.22 g/mol |
| Molecular Formula | C17H8F14O6 |
| Exact Mass | 574.009732 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1RIpXtw46m6 |
|---|---|
| Name | Mhma-me-di-hfb |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 574.009732254 u |
| Formula | C17H8F14O6 |
| InChI | InChI=1S/C17H8F14O6/c1-36-9(34)11(6-3-2-4-7(32)5-6,8(33)12(18,19)14(22,23)16(26,27)28)37-10(35)13(20,21)15(24,25)17(29,30)31/h2-5,32H,1H3 |
| InChIKey | BEYRVDKUSKXMNE-UHFFFAOYSA-N |
| Molecular Weight | 574.223 g/mol |
| SMILES | C(C(C(OC(C(C(C(F)(F)F)(F)F)(F)F)=O)(C=1C=C(O)C=CC1)C(=O)OC)=O)(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920886 |