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acetamide, N-(2,6-dichlorophenyl)-2-[[6-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2-benzothiazolyl]thio]-
SpectraBase Compound ID 7PoboOriHYD
InChI InChI=1S/C23H13Cl2N3O3S2/c24-15-6-3-7-16(25)20(15)27-19(29)11-32-23-26-17-9-8-12(10-18(17)33-23)28-21(30)13-4-1-2-5-14(13)22(28)31/h1-10H,11H2,(H,27,29)
InChIKey RXPMYUJCEACCBP-UHFFFAOYSA-N
Mol Weight 514.4 g/mol
Molecular Formula C23H13Cl2N3O3S2
Exact Mass 512.977539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JCQHjRlMwWo
Name Acetamide, N-(2,6-dichlorophenyl)-2-[[6-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2-benzothiazolyl]thio]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 512.977539036 u
Formula C23H13Cl2N3O3S2
InChI InChI=1S/C23H13Cl2N3O3S2/c24-15-6-3-7-16(25)20(15)27-19(29)11-32-23-26-17-9-8-12(10-18(17)33-23)28-21(30)13-4-1-2-5-14(13)22(28)31/h1-10H,11H2,(H,27,29)
InChIKey RXPMYUJCEACCBP-UHFFFAOYSA-N
Molecular Weight 514.401 g/mol
SMILES N(C1=C(Cl)C=CC=C1Cl)C(CSC=1SC=2C=C(N3C(C=4C=CC=CC4C3=O)=O)C=CC2N1)=O