For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2,2-DIMETHYL-PROPIONIC-ACID-4-(2-ACETOXY-4-METHOXYPHENYL)-1-ETHOXYTHIOCARBONYLSULFANYL-4-OXO-BUTYLESTER
SpectraBase Compound ID FysKWOrnc5O
InChI InChI=1S/C21H28O7S2/c1-7-26-20(29)30-18(28-19(24)21(3,4)5)11-10-16(23)15-9-8-14(25-6)12-17(15)27-13(2)22/h8-9,12,18H,7,10-11H2,1-6H3
InChIKey ODTANJAPZMCVTP-UHFFFAOYSA-N
Mol Weight 456.57 g/mol
Molecular Formula C21H28O7S2
Exact Mass 456.127646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9DOPlQdqhc1
Name 2,2-DIMETHYL-PROPIONIC-ACID-4-(2-ACETOXY-4-METHOXYPHENYL)-1-ETHOXYTHIOCARBONYLSULFANYL-4-OXO-BUTYLESTER
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O7S2
InChI InChI=1S/C21H28O7S2/c1-7-26-20(29)30-18(28-19(24)21(3,4)5)11-10-16(23)15-9-8-14(25-6)12-17(15)27-13(2)22/h8-9,12,18H,7,10-11H2,1-6H3
InChIKey ODTANJAPZMCVTP-UHFFFAOYSA-N
Literature Reference Author A.C.VARGAS,B.QUICLET-SIRE,S.Z.ZARD
Literature Reference Citation ORG.LETTERS,5,3717(2003)
Literature Reference DOI 10.1021/ol035394o
Molecular Weight 456.569 g/mol
Sample ID 33896
Solvent CDCl3