![1-{[3',6'-Dihydro-6'-oxo-2H-pyran-2'-yl]methyl-5-phenylpentyl (.alpha.-S)-.alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetate](/api/spectrum/FntjyIx4rgw/structure.png?h=300&w=458 "1-{[3',6'-Dihydro-6'-oxo-2H-pyran-2'-yl]methyl-5-phenylpentyl (.alpha.-S)-.alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetate")
| SpectraBase Compound ID | ItVv6g6bYEU |
|---|---|
| InChI | InChI=1S/C27H29F3O5/c28-27(29,30)25(21-13-5-2-6-14-21)26(32)34-19-33-22(18-23-16-9-17-24(31)35-23)15-8-7-12-20-10-3-1-4-11-20/h1-6,9-11,13-14,17,22-23,25H,7-8,12,15-16,18-19H2/t22-,23?,25?/m0/s1 |
| InChIKey | WXFAFNOCTCNBSA-ICXLUZGWSA-N |
| Mol Weight | 490.52 g/mol |
| Molecular Formula | C27H29F3O5 |
| Exact Mass | 490.196709 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FntjyIx4rgw |
|---|---|
| Name | 1-{[3',6'-Dihydro-6'-oxo-2H-pyran-2'-yl]methyl-5-phenylpentyl (.alpha.-S)-.alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H29F3O5 |
| InChI | InChI=1S/C27H29F3O5/c28-27(29,30)25(21-13-5-2-6-14-21)26(32)34-19-33-22(18-23-16-9-17-24(31)35-23)15-8-7-12-20-10-3-1-4-11-20/h1-6,9-11,13-14,17,22-23,25H,7-8,12,15-16,18-19H2/t22-,23?,25?/m0/s1 |
| InChIKey | WXFAFNOCTCNBSA-ICXLUZGWSA-N |
| Molecular Weight | 490.519 g/mol |
| SMILES | C(C(C(OCO[C@](CC1OC(=O)C=CC1)(CCCCc1ccccc1)[H])=O)c1ccccc1)(F)(F)F |
| SPLASH | splash10-0006-2910000000-77e0682ced1af5cc74a1 |
| Source of Spectrum | H-84-3475-1 |
| Wiley ID | 847761 |