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thiourea, N-[6-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-oxohexyl]-N'-(2-methylphenyl)-
SpectraBase Compound ID LNdsxQL1ApW
InChI InChI=1S/C22H23N3O3S/c1-15-9-4-7-12-18(15)23-22(29)24-19(26)13-3-2-8-14-25-20(27)16-10-5-6-11-17(16)21(25)28/h4-7,9-12H,2-3,8,13-14H2,1H3,(H2,23,24,26,29)
InChIKey GXAIGHCPYVACNL-UHFFFAOYSA-N
Mol Weight 409.5 g/mol
Molecular Formula C22H23N3O3S
Exact Mass 409.146013 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Avhl10Vnom6
Name Thiourea, N-[6-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-oxohexyl]-N'-(2-methylphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.146012784 u
Formula C22H23N3O3S
InChI InChI=1S/C22H23N3O3S/c1-15-9-4-7-12-18(15)23-22(29)24-19(26)13-3-2-8-14-25-20(27)16-10-5-6-11-17(16)21(25)28/h4-7,9-12H,2-3,8,13-14H2,1H3,(H2,23,24,26,29)
InChIKey GXAIGHCPYVACNL-UHFFFAOYSA-N
Molecular Weight 409.504 g/mol
SMILES N(C(NC(CCCCCN1C(C2=CC=CC=C2C1=O)=O)=O)=S)C1=C(C)C=CC=C1