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TRANS-(6,10B,11,12-TETRAHYDRO-PYRROLO-[1',2':2,3]-PYRIDAZINO-[6,1-A]-ISOINDOL-6-ONE-12-YL)-THIOACETIC-ACID
SpectraBase Compound ID BE5hKFP6O8e
InChI InChI=1S/C16H14N2O3S/c19-15(20)9-22-14-8-13-10-4-1-2-5-11(10)16(21)18(13)17-7-3-6-12(14)17/h1-7,13-14H,8-9H2,(H,19,20)/t13-,14+/m1/s1
InChIKey YSRFSSMELTXWFP-KGLIPLIRSA-N
Mol Weight 314.36 g/mol
Molecular Formula C16H14N2O3S
Exact Mass 314.072513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Ja2Gv9bVcW
Name TRANS-(6,10B,11,12-TETRAHYDRO-PYRROLO-[1',2':2,3]-PYRIDAZINO-[6,1-A]-ISOINDOL-6-ONE-12-YL)-THIOACETIC-ACID
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H14N2O3S
InChI InChI=1S/C16H14N2O3S/c19-15(20)9-22-14-8-13-10-4-1-2-5-11(10)16(21)18(13)17-7-3-6-12(14)17/h1-7,13-14H,8-9H2,(H,19,20)/t13-,14+/m1/s1
InChIKey YSRFSSMELTXWFP-KGLIPLIRSA-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 314.359 g/mol
Solvent DMSO-D6
Source File Reference UWCP6298