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ORPDVVDSJSOTGZ-CFDWWVKHSA-N
SpectraBase Compound ID 4r1pzLRhH89
InChI InChI=1S/C22H23IN2O3S/c1-24(29-4)11-12-9-15(22(27)28-3)18-19-13-7-5-6-8-16(13)25(2)21(19)17(26)10-14(12)20(18)23/h5-9,11,14,18,20H,10H2,1-4H3/b12-11-/t14-,18-,20?/m1/s1
InChIKey ORPDVVDSJSOTGZ-CFDWWVKHSA-N
Mol Weight 522.4 g/mol
Molecular Formula C22H23IN2O3S
Exact Mass 522.047409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3D2skyj84zR
Name ORPDVVDSJSOTGZ-CFDWWVKHSA-N
Compound Number 12
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H23IN2O3S
InChI InChI=1S/C22H23IN2O3S/c1-24(29-4)11-12-9-15(22(27)28-3)18-19-13-7-5-6-8-16(13)25(2)21(19)17(26)10-14(12)20(18)23/h5-9,11,14,18,20H,10H2,1-4H3/b12-11-/t14-,18-,20?/m1/s1
InChIKey ORPDVVDSJSOTGZ-CFDWWVKHSA-N
Literature Reference Author M.L.BENNASAR,B.VIDAL,J.BOSCH
Literature Reference Citation J.ORG.CHEM.,62,3597(1997)
Literature Reference DOI 10.1021/jo9623301
Molecular Weight 522.401 g/mol
Solvent CDCl3
Source File Reference UWCP8849