| SpectraBase Compound ID | LZFyzCfzhbe |
|---|---|
| InChI | InChI=1S/C22H29NO5S/c1-3-5-7-9-11-13-20(24)27-18-14-17(12-10-8-6-4-2)28-22(26,15-18)19-16-29-21(25)23-19/h11,13,17-19,26H,7-10,12,14-16H2,1-2H3,(H,23,25)/b13-11-/t17-,18-,19+,22-/m1/s1 |
| InChIKey | CWKLZGBMXQPOAK-RBQRFGRXSA-N |
| Mol Weight | 419.54 g/mol |
| Molecular Formula | C22H29NO5S |
| Exact Mass | 419.176644 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KWU0DmJB9IA |
|---|---|
| Name | (Z)-Oct-2-en-6-ynoic acid (2R,4R,6R)-6-hex-4-ynyl-2-hydroxy-2-((R)-2-oxo-thiazolidin-4-yl)-tetrahydro-pyran-4-yl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H29NO5S |
| InChI | InChI=1S/C22H29NO5S/c1-3-5-7-9-11-13-20(24)27-18-14-17(12-10-8-6-4-2)28-22(26,15-18)19-16-29-21(25)23-19/h11,13,17-19,26H,7-10,12,14-16H2,1-2H3,(H,23,25)/b13-11-/t17-,18-,19+,22-/m1/s1 |
| InChIKey | CWKLZGBMXQPOAK-RBQRFGRXSA-N |
| Molecular Weight | 419.536 g/mol |
| SMILES | N1C(SC[C@]1([C@@]1(O[C@](CCCC#CC)(C[C@](C1)(OC(\C=C/CCC#CC)=O)[H])[H])O)[H])=O |
| SPLASH | splash10-01r6-5900000000-66927def77cfbfc4e8ca |
| Source of Spectrum | QE-13-148-50 |
| Wiley ID | 1710570 |