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AXOKTSJREIBFKX-SSTJLMRISA-N

View entire compound with spectra: 1 NMR

AXOKTSJREIBFKX-SSTJLMRISA-N
SpectraBase Compound ID BujCXRK2j1l
InChI InChI=1S/C21H22O5S2/c1-21(14-22)17-12-13-18(21)20(28(25,26)16-10-6-3-7-11-16)19(17)27(23,24)15-8-4-2-5-9-15/h2-13,17-20,22H,14H2,1H3/t17-,18+,19+,20-,21-
InChIKey AXOKTSJREIBFKX-XXPBSIAGSA-N
Mol Weight 418.52 g/mol
Molecular Formula C21H22O5S2
Exact Mass 418.090866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8O1QKVjpiDA
Name AXOKTSJREIBFKX-SSTJLMRISA-N
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O5S2
InChI InChI=1S/C21H22O5S2/c1-21(14-22)17-12-13-18(21)20(28(25,26)16-10-6-3-7-11-16)19(17)27(23,24)15-8-4-2-5-9-15/h2-13,17-20,22H,14H2,1H3/t17-,18+,19+,20-,21-
InChIKey AXOKTSJREIBFKX-XXPBSIAGSA-N
Literature Reference Author L.A.PAQUETTE,C.VANUCCI,R.D.ROGERS
Literature Reference Citation J.AM.CHEM.SOC.,111,5792(1989)
Literature Reference DOI 10.1021/ja00197a045
Molecular Weight 418.523 g/mol
Solvent DMSO-D6
Source File Reference UWED10382