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TRANS-12-BENZYLTHIO-6,10B,11,12-TETRAHYDRO-PYRROLO-[1',2':2,3]-PYRIDAZINO-[6,1-A]-ISOINDOL-6-ONE
SpectraBase Compound ID LfhcuEf9zNt
InChI InChI=1S/C21H18N2OS/c24-21-17-10-5-4-9-16(17)19-13-20(18-11-6-12-22(18)23(19)21)25-14-15-7-2-1-3-8-15/h1-12,19-20H,13-14H2/t19-,20+/m1/s1
InChIKey ZZHRXUVMOKNSDH-UXHICEINSA-N
Mol Weight 346.45 g/mol
Molecular Formula C21H18N2OS
Exact Mass 346.113984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Gnbi1B1iIv
Name TRANS-12-BENZYLTHIO-6,10B,11,12-TETRAHYDRO-PYRROLO-[1',2':2,3]-PYRIDAZINO-[6,1-A]-ISOINDOL-6-ONE
Compound Number 7F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18N2OS
InChI InChI=1S/C21H18N2OS/c24-21-17-10-5-4-9-16(17)19-13-20(18-11-6-12-22(18)23(19)21)25-14-15-7-2-1-3-8-15/h1-12,19-20H,13-14H2/t19-,20+/m1/s1
InChIKey ZZHRXUVMOKNSDH-UXHICEINSA-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 346.447 g/mol
Solvent CDCl3
Source File Reference UWCP6302