![4-[2-methoxy-4-(3-methyl-1-oxodec-6-en-8-yn-1-yloxy)-6-(3-methylhex-4-yn-1-yl)tetrahydropyran-2-yl]thiazolidin-2-one isomer](/api/spectrum/3bP89KKlSlA/structure.png?h=300&w=458 "4-[2-methoxy-4-(3-methyl-1-oxodec-6-en-8-yn-1-yloxy)-6-(3-methylhex-4-yn-1-yl)tetrahydropyran-2-yl]thiazolidin-2-one isomer")
| SpectraBase Compound ID | GgwXRQbEMhx |
|---|---|
| InChI | InChI=1S/C27H37NO5S/c1-6-8-9-10-11-13-21(4)16-25(29)32-23-17-22(15-14-20(3)12-7-2)33-27(18-23,31-5)24-19-34-26(30)28-24/h9-10,16,20,22-24H,11,13-15,17-19H2,1-5H3,(H,28,30)/b10-9+,21-16-/t20?,22-,23?,24+,27?/m1/s1 |
| InChIKey | CELAZLOUZZNEDF-BGTKTHIFSA-N |
| Mol Weight | 487.7 g/mol |
| Molecular Formula | C27H37NO5S |
| Exact Mass | 487.239244 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3bP89KKlSlA |
|---|---|
| Name | 4-[2-methoxy-4-(3-methyl-1-oxodec-6-en-8-yn-1-yloxy)-6-(3-methylhex-4-yn-1-yl)tetrahydropyran-2-yl]thiazolidin-2-one isomer |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H37NO5S |
| InChI | InChI=1S/C27H37NO5S/c1-6-8-9-10-11-13-21(4)16-25(29)32-23-17-22(15-14-20(3)12-7-2)33-27(18-23,31-5)24-19-34-26(30)28-24/h9-10,16,20,22-24H,11,13-15,17-19H2,1-5H3,(H,28,30)/b10-9+,21-16-/t20?,22-,23?,24+,27?/m1/s1 |
| InChIKey | CELAZLOUZZNEDF-BGTKTHIFSA-N |
| Molecular Weight | 487.655 g/mol |
| SMILES | N1C(SC[C@]1(C1(O[C@](CCC(C#CC)C)(CC(C1)OC(\C=C/(CC\C=C\C#CC)C)=O)[H])OC)[H])=O |
| SPLASH | splash10-0a7i-2950000000-740ba474b21becd85306 |
| Source of Spectrum | QE-13-130-59 |
| Wiley ID | 1662078 |