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CAPPARINE-B;6-METHOXY-2-(METHYLTHIO)-1H-INDOLE-3-CARBALDEHYDE
SpectraBase Compound ID CGvU01xnnZF
InChI InChI=1S/C11H11NO2S/c1-14-7-3-4-8-9(6-13)11(15-2)12-10(8)5-7/h3-6,12H,1-2H3
InChIKey QTGIHGJBFQOXDY-UHFFFAOYSA-N
Mol Weight 221.27 g/mol
Molecular Formula C11H11NO2S
Exact Mass 221.05105 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6L1hZONUhw6
Name CAPPARINE-B;6-METHOXY-2-(METHYLTHIO)-1H-INDOLE-3-CARBALDEHYDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H11NO2S
InChI InChI=1S/C11H11NO2S/c1-14-7-3-4-8-9(6-13)11(15-2)12-10(8)5-7/h3-6,12H,1-2H3
InChIKey QTGIHGJBFQOXDY-UHFFFAOYSA-N
Literature Reference Author Y.Q.LI,S.L.YANG,H.R.LI,L.Z.XU
Literature Reference Citation CHEM.PHARM.BULL.,56,189(2008)
Literature Reference DOI 10.1248/cpb.56.189
Molecular Weight 221.274 g/mol
Sample ID 1269
Solvent DMSO-D6