John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1iuv3lqL5vr SpectraBase Spectrum ID=101hTn3slRO

(accessed ).
TRANS-3-(6,10B,11,12-TETRAHYDRO-PYRROLO-[1',2':2,3]-PYRIDAZINO-[6,1-A]-ISOINDOL-6-ONE-12-YL)-THIOPROPIONIC-ACID
SpectraBase Compound ID 1iuv3lqL5vr
InChI InChI=1S/C17H16N2O3S/c20-16(21)7-9-23-15-10-14-11-4-1-2-5-12(11)17(22)19(14)18-8-3-6-13(15)18/h1-6,8,14-15H,7,9-10H2,(H,20,21)/t14-,15+/m1/s1
InChIKey LJDFUVAPRHYDPP-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 101hTn3slRO
Name TRANS-3-(6,10B,11,12-TETRAHYDRO-PYRROLO-[1',2':2,3]-PYRIDAZINO-[6,1-A]-ISOINDOL-6-ONE-12-YL)-THIOPROPIONIC-ACID
Compound Number 7C
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16N2O3S
InChI InChI=1S/C17H16N2O3S/c20-16(21)7-9-23-15-10-14-11-4-1-2-5-12(11)17(22)19(14)18-8-3-6-13(15)18/h1-6,8,14-15H,7,9-10H2,(H,20,21)/t14-,15+/m1/s1
InChIKey LJDFUVAPRHYDPP-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 DMSO-D6
Source File Reference UWCP6299
SpectraBase Batch ID 81ZvYPsk9Eo