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XLTHDUMYXFRHPK-UHFFFAOYSA-N
SpectraBase Compound ID 42VTNT7liZp
InChI InChI=1S/C31H22O3S/c32-30(33-21-26-12-7-19-35-26)23-13-15-27-22(20-23)14-16-29-28(27)17-18-31(34-29,24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1-20H,21H2
InChIKey XLTHDUMYXFRHPK-UHFFFAOYSA-N
Mol Weight 474.57 g/mol
Molecular Formula C31H22O3S
Exact Mass 474.128966 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Ox3oQt6asv
Name XLTHDUMYXFRHPK-UHFFFAOYSA-N
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H22O3S
InChI InChI=1S/C31H22O3S/c32-30(33-21-26-12-7-19-35-26)23-13-15-27-22(20-23)14-16-29-28(27)17-18-31(34-29,24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1-20H,21H2
InChIKey XLTHDUMYXFRHPK-UHFFFAOYSA-N
Literature Reference Author C.MOUSTROU,N.REBIERE,M.FRIGOLI,E.POTTIER,R.GUGLIELMETTI,R.FA URE
Literature Reference Citation MAGN.RES.CHEM.,36,548(1998)
Literature Reference DOI 10.1002/(sici)1097-458x(199807)36:7<548::aid-omr331>3.3.co;2-q
Molecular Weight 474.574 g/mol
Solvent CDCl3
Source File Reference UWRU1530