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trans-1-(2,4-dimethoxyphenyl)-3-hydroxy-4-[(2-methylallyl)thio]-2- azetidinone, p-chlorobenzenesulfonate (ester)

View entire compound with spectra: 2 NMR, and 1 FTIR

trans-1-(2,4-dimethoxyphenyl)-3-hydroxy-4-[(2-methylallyl)thio]-2- azetidinone, p-chlorobenzenesulfonate (ester)
SpectraBase Compound ID 7jNqhew0RFj
InChI InChI=1S/C21H22ClNO6S2/c1-13(2)12-30-21-19(29-31(25,26)16-8-5-14(22)6-9-16)20(24)23(21)17-10-7-15(27-3)11-18(17)28-4/h5-11,19,21H,1,12H2,2-4H3/t19-,21+/s2
InChIKey ICKSXYOEKXOHBF-LMPOMZQGSA-N
Mol Weight 483.98 g/mol
Molecular Formula C21H22ClNO6S2
Exact Mass 483.057707 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7pAPZnaEtNK
Name trans-1-(2,4-dimethoxyphenyl)-3-hydroxy-4-[(2-methylallyl)thio]-2- azetidinone, p-chlorobenzenesulfonate (ester)
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22ClNO6S2
InChI InChI=1S/C21H22ClNO6S2/c1-13(2)12-30-21-19(29-31(25,26)16-8-5-14(22)6-9-16)20(24)23(21)17-10-7-15(27-3)11-18(17)28-4/h5-11,19,21H,1,12H2,2-4H3/t19-,21+/s2
InChIKey ICKSXYOEKXOHBF-LMPOMZQGSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 26119M
Solvent CDCl3