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1H-Isoindole-1,3(2H)-dione, 2-[4-chloro-3-(4-methyl-1,3-dithiolan-2-yl)phenyl]-4,5,6,7-tetrahydro-
SpectraBase Compound ID D6PDCGdvdQJ
InChI InChI=1S/C18H18ClNO2S2/c1-10-9-23-18(24-10)14-8-11(6-7-15(14)19)20-16(21)12-4-2-3-5-13(12)17(20)22/h6-8,10,18H,2-5,9H2,1H3
InChIKey SFFKBLISMUJASP-UHFFFAOYSA-N
Mol Weight 379.92 g/mol
Molecular Formula C18H18ClNO2S2
Exact Mass 379.046749 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HOnpldy8yl9
Name 1H-Isoindole-1,3(2H)-dione, 2-[4-chloro-3-(4-methyl-1,3-dithiolan-2-yl)phenyl]-4,5,6,7-tetrahydro-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.046748870 u
Formula C18H18ClNO2S2
InChI InChI=1S/C18H18ClNO2S2/c1-10-9-23-18(24-10)14-8-11(6-7-15(14)19)20-16(21)12-4-2-3-5-13(12)17(20)22/h6-8,10,18H,2-5,9H2,1H3
InChIKey SFFKBLISMUJASP-UHFFFAOYSA-N
Molecular Weight 379.920 g/mol
SMILES C1(N(C(C=2CCCCC12)=O)C1=CC=C(C(=C1)C1SC(CS1)C)Cl)=O