![1.2,5-tris[alpha.-Methoxyalpha.-(trifluoromethyl)phenylacetyl]-2-methyl-1,2,5-pentanetriol](/api/spectrum/4naDDMdOO8/structure.png?h=300&w=458 "1.2,5-tris[alpha.-Methoxyalpha.-(trifluoromethyl)phenylacetyl]-2-methyl-1,2,5-pentanetriol")
| SpectraBase Compound ID | JIhiYRtoeaE |
|---|---|
| InChI | InChI=1S/C36H35F9O9/c1-23(21-52-28(46)31(49-2,34(37,38)39)24-14-8-5-9-15-24)20-27(54-30(48)33(51-4,36(43,44)45)26-18-12-7-13-19-26)22-53-29(47)32(50-3,35(40,41)42)25-16-10-6-11-17-25/h5-19,23,27H,20-22H2,1-4H3/t23-,27?,31?,32?,33?/m1/s1 |
| InChIKey | AWTRRSJUFWDPLP-FBMPCNTPSA-N |
| Mol Weight | 782.7 g/mol |
| Molecular Formula | C36H35F9O9 |
| Exact Mass | 782.213736 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4naDDMdOO8 |
|---|---|
| Name | 1.2,5-tris[alpha.-Methoxyalpha.-(trifluoromethyl)phenylacetyl]-2-methyl-1,2,5-pentanetriol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H35F9O9 |
| InChI | InChI=1S/C36H35F9O9/c1-23(21-52-28(46)31(49-2,34(37,38)39)24-14-8-5-9-15-24)20-27(54-30(48)33(51-4,36(43,44)45)26-18-12-7-13-19-26)22-53-29(47)32(50-3,35(40,41)42)25-16-10-6-11-17-25/h5-19,23,27H,20-22H2,1-4H3/t23-,27?,31?,32?,33?/m1/s1 |
| InChIKey | AWTRRSJUFWDPLP-FBMPCNTPSA-N |
| Molecular Weight | 782.653 g/mol |
| SMILES | C(C(OC(COC(C(C(F)(F)F)(c1ccccc1)OC)=O)C[C@](COC(C(C(F)(F)F)(c1ccccc1)OC)=O)(C)[H])=O)(C(F)(F)F)(c1ccccc1)OC |
| SPLASH | splash10-000b-6901310000-a10c99daad2caddc18f4 |
| Source of Spectrum | C-124-8842-9-OMTP |
| Wiley ID | 1700856 |