| SpectraBase Compound ID | KPpk06uik3D |
|---|---|
| InChI | InChI=1S/C21H25F3O2/c1-5-26-19(25)15-17(21(22,23)24)12-8-6-7-9-13-18-16(2)11-10-14-20(18,3)4/h8-9,12-13,15H,5,10-11,14H2,1-4H3/b12-8+,13-9+,17-15+ |
| InChIKey | HSJVLVMGJINENI-RRJOVMFDSA-N |
| Mol Weight | 366.42 g/mol |
| Molecular Formula | C21H25F3O2 |
| Exact Mass | 366.180665 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6GJyHcfou0w |
|---|---|
| Name | Ethyl 3-trifluoro-5-ynretinoid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H25F3O2 |
| InChI | InChI=1S/C21H25F3O2/c1-5-26-19(25)15-17(21(22,23)24)12-8-6-7-9-13-18-16(2)11-10-14-20(18,3)4/h8-9,12-13,15H,5,10-11,14H2,1-4H3/b12-8+,13-9+,17-15+ |
| InChIKey | HSJVLVMGJINENI-RRJOVMFDSA-N |
| Molecular Weight | 366.424 g/mol |
| SMILES | C(\C(=C\C(=O)OCC)\C=C\C#C\C=C\C1=C(CCCC1(C)C)C)(F)(F)F |
| SPLASH | splash10-0006-9131000000-bb2434d0ebc641ba7cf0 |
| Source of Spectrum | AT-40-3154-5 |
| Wiley ID | 854474 |