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TRANS-2-(6,10B,11,12-TETRAHYDRO-PYRROLO-[1',2':2,3]-PYRIDAZINO-[6,1-A]-ISOINDOL-6-ONE-12-YL)-THIOBENZOIC-ACID
SpectraBase Compound ID IWHf4rSXGVg
InChI InChI=1S/C21H16N2O3S/c24-20-14-7-2-1-6-13(14)17-12-19(16-9-5-11-22(16)23(17)20)27-18-10-4-3-8-15(18)21(25)26/h1-11,17,19H,12H2,(H,25,26)/t17-,19+/m1/s1
InChIKey WYHJJESLQOVWQY-MJGOQNOKSA-N
Mol Weight 376.43 g/mol
Molecular Formula C21H16N2O3S
Exact Mass 376.088164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KvKDFQU9f9N
Name TRANS-2-(6,10B,11,12-TETRAHYDRO-PYRROLO-[1',2':2,3]-PYRIDAZINO-[6,1-A]-ISOINDOL-6-ONE-12-YL)-THIOBENZOIC-ACID
Compound Number 7D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H16N2O3S
InChI InChI=1S/C21H16N2O3S/c24-20-14-7-2-1-6-13(14)17-12-19(16-9-5-11-22(16)23(17)20)27-18-10-4-3-8-15(18)21(25)26/h1-11,17,19H,12H2,(H,25,26)/t17-,19+/m1/s1
InChIKey WYHJJESLQOVWQY-MJGOQNOKSA-N
Literature Reference Author S.MARCHALIN,B.DECROIX
Literature Reference Citation HETEROCYCLES,43,2595(1996)
Literature Reference DOI 10.3987/COM-96-7559
Molecular Weight 376.430 g/mol
Solvent DMSO-D6
Source File Reference UWCP6300