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(2Z)-5-HYDROXY-3-(1-PHENYLSULFONYL-1H-INDOL-5-YL)-2-PENTENAL
SpectraBase Compound ID 9Zok1oISWCY
InChI InChI=1S/2C19H17NO4S/c2*21-12-9-15(10-13-22)16-6-7-19-17(14-16)8-11-20(19)25(23,24)18-4-2-1-3-5-18/h2*1-9,11-12,14,22H,10,13H2/b2*15-9-
InChIKey ZBLBTTJWHBPNOP-YTXCYMDISA-N
Mol Weight 710.82 g/mol
Molecular Formula C38H34N2O8S2
Exact Mass 710.175658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Z0Z2Ot5XBd
Name (2Z)-5-HYDROXY-3-(1-PHENYLSULFONYL-1H-INDOL-5-YL)-2-PENTENAL
Compound Number 8H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H34N2O8S2
InChI InChI=1S/2C19H17NO4S/c2*21-12-9-15(10-13-22)16-6-7-19-17(14-16)8-11-20(19)25(23,24)18-4-2-1-3-5-18/h2*1-9,11-12,14,22H,10,13H2/b2*15-9-
InChIKey ZBLBTTJWHBPNOP-YTXCYMDISA-N
Literature Reference Author S.E.DENMARK,T.KOBAYASHI
Literature Reference Citation J.ORG.CHEM.,68,5153(2003)
Literature Reference DOI 10.1021/jo034064e
Molecular Weight 710.817 g/mol
Solvent CDCl3
Source File Reference UWSI22416