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CXNRDMAPIYPYPQ-BUTNXZJASA-N

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CXNRDMAPIYPYPQ-BUTNXZJASA-N
SpectraBase Compound ID IYcSSJzLRMz
InChI InChI=1S/C28H30N2O2S2/c1-4-27(34-19-11-9-17(2)10-12-19)16-18-15-20(25(31)32-3)23-28(13-14-30(24(18)28)26(27)33)21-7-5-6-8-22(21)29-23/h5-12,18,24,29H,4,13-16H2,1-3H3/t18-,24+,27-,28+/m1/s1
InChIKey CXNRDMAPIYPYPQ-BUTNXZJASA-N
Mol Weight 490.68 g/mol
Molecular Formula C28H30N2O2S2
Exact Mass 490.174871 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4MpxAHMRKvi
Name CXNRDMAPIYPYPQ-BUTNXZJASA-N
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H30N2O2S2
InChI InChI=1S/C28H30N2O2S2/c1-4-27(34-19-11-9-17(2)10-12-19)16-18-15-20(25(31)32-3)23-28(13-14-30(24(18)28)26(27)33)21-7-5-6-8-22(21)29-23/h5-12,18,24,29H,4,13-16H2,1-3H3/t18-,24+,27-,28+/m1/s1
InChIKey CXNRDMAPIYPYPQ-BUTNXZJASA-N
Literature Reference Author G.KALAUS,I.GREINER,M.KAJTAR-PEREDY,J.BRLIK,L.SZABO,C.SZANTAY
Literature Reference Citation J.ORG.CHEM.,58,6076(1993)
Literature Reference DOI 10.1021/jo00074a039
Molecular Weight 490.678 g/mol
Solvent CDCl3
Source File Reference UWGE2308