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DI-(L)-MENTHYL-(1-MERCAPTOBUT-3-ENYL)-PHOSPHONATE;MAJOR-ISOMER
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

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