| SpectraBase Compound ID | KQ4cqNCqwrF |
|---|---|
| InChI | InChI=1S/C24H45O3PS/c1-8-9-24(29)28(25,26-22-14-18(6)10-12-20(22)16(2)3)27-23-15-19(7)11-13-21(23)17(4)5/h8,16-24,29H,1,9-15H2,2-7H3/t18-,19+,20+,21-,22-,23+,24-,28?/m1/s1 |
| InChIKey | JBKKMKZIVQPJCE-XAOVADPOSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C24H45O3PS |
| Exact Mass | 444.282703 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5bkICD75eeP |
|---|---|
| Name | DI-(L)-MENTHYL-(1-MERCAPTOBUT-3-ENYL)-PHOSPHONATE;MAJOR-ISOMER |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H45O3PS |
| InChI | InChI=1S/C24H45O3PS/c1-8-9-24(29)28(25,26-22-14-18(6)10-12-20(22)16(2)3)27-23-15-19(7)11-13-21(23)17(4)5/h8,16-24,29H,1,9-15H2,2-7H3/t18-,19+,20+,21-,22-,23+,24-,28?/m1/s1 |
| InChIKey | JBKKMKZIVQPJCE-XAOVADPOSA-N |
| Literature Reference Author | P.MARCHAND,M.GULEA,S.MASSON,M.SAQUET,N.COLLIGNON |
| Literature Reference Citation | ORG.LETTERS,2,3757(2000) |
| Literature Reference DOI | 10.1021/ol005937j |
| Molecular Weight | 444.653 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU33559 |