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METHYL-TRANS-(6,10B,11,12-TETRAHYDRO-PYRROLO-[1',2':2,3]-PYRIDAZINO-[6,1-A]-ISOINDOL-6-ONE-12-YL)-THIOACETATE
SpectraBase Compound ID A6UTwWSteiy
InChI InChI=1S/C17H16N2O3S/c1-22-16(20)10-23-15-9-14-11-5-2-3-6-12(11)17(21)19(14)18-8-4-7-13(15)18/h2-8,14-15H,9-10H2,1H3/t14-,15+/m1/s1
InChIKey LIMISURYYBSNDH-CABCVRRESA-N
Mol Weight 328.39 g/mol
Molecular Formula C17H16N2O3S
Exact Mass 328.088164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7u61PlOtgSJ
Name METHYL-TRANS-(6,10B,11,12-TETRAHYDRO-PYRROLO-[1',2':2,3]-PYRIDAZINO-[6,1-A]-ISOINDOL-6-ONE-12-YL)-THIOACETATE
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16N2O3S
InChI InChI=1S/C17H16N2O3S/c1-22-16(20)10-23-15-9-14-11-5-2-3-6-12(11)17(21)19(14)18-8-4-7-13(15)18/h2-8,14-15H,9-10H2,1H3/t14-,15+/m1/s1
InChIKey LIMISURYYBSNDH-CABCVRRESA-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 328.386 g/mol
Solvent CDCl3
Source File Reference UWCP6297