| SpectraBase Compound ID | BJzPXJy7OyF |
|---|---|
| InChI | InChI=1S/C14H8F9NO5/c15-12(16,17)9(25)24-5-8(29-11(27)14(21,22)23)6-1-3-7(4-2-6)28-10(26)13(18,19)20/h1-4,8H,5H2,(H,24,25) |
| InChIKey | AOQZMQBDUJCRTH-UHFFFAOYSA-N |
| Mol Weight | 441.21 g/mol |
| Molecular Formula | C14H8F9NO5 |
| Exact Mass | 441.025876 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8tftYAQBwPx |
|---|---|
| Name | Trifluoroacetyl derivative of octopamine |
| CAS Registry Number | 67675-40-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H8F9NO5 |
| InChI | InChI=1S/C14H8F9NO5/c15-12(16,17)9(25)24-5-8(29-11(27)14(21,22)23)6-1-3-7(4-2-6)28-10(26)13(18,19)20/h1-4,8H,5H2,(H,24,25) |
| InChIKey | AOQZMQBDUJCRTH-UHFFFAOYSA-N |
| Molecular Weight | 441.206 g/mol |
| SMILES | N(C(C(F)(F)F)=O)CC(OC(C(F)(F)F)=O)c1ccc(OC(C(F)(F)F)=O)cc1 |
| SPLASH | splash10-016r-9101000000-647440fe7b99be6cd60d |
| Source of Spectrum | BM-1978-65-3 |
| Synonyms | 4-{2-[(trifluoroacetyl)amino]-1-[(trifluoroacetyl)oxy]ethyl}phenyl trifluoroacetate Tris-trifluoroacetyl derivative of octopamine 2,2,2-trifluoroacetic acid [4-[1-(2,2,2-trifluoro-1-oxoethoxy)-2-[(2,2,2-trifluoro-1-oxoethyl)amino]ethyl]phenyl] ester [4-[2-[(2,2,2-trifluoroacetyl)amino]-1-(2,2,2-trifluoroacetyl)oxyethyl]phenyl] 2,2,2-trifluoroacetate [4-[2-[(2,2,2-trifluoroacetyl)amino]-1-(2,2,2-trifluoroacetyl)oxy-ethyl]phenyl] 2,2,2-trifluoroacetate [4-[2-[2,2,2-tris(fluoranyl)ethanoylamino]-1-[2,2,2-tris(fluoranyl)ethanoyloxy]ethyl]phenyl] 2,2,2-tris(fluoranyl)ethanoate |
| Wiley ID | 1384994 |