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6,8-bis[N-Methyl-N-(formylamino)methyl]-isothioquinanthrene

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6,8-bis[N-Methyl-N-(formylamino)methyl]-isothioquinanthrene
SpectraBase Compound ID DvChhWnvviv
InChI InChI=1S/C24H20N4O2S2/c1-27(13-29)11-19-23-21(15-7-3-5-9-17(15)25-19)31-22-16-8-4-6-10-18(16)26-20(24(22)32-23)12-28(2)14-30/h3-10,13-14H,11-12H2,1-2H3
InChIKey OCBALJKVBOXGMM-UHFFFAOYSA-N
Mol Weight 460.57 g/mol
Molecular Formula C24H20N4O2S2
Exact Mass 460.102768 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7vIlmcfkUqQ
Name 6,8-bis[N-Methyl-N-(formylamino)methyl]-isothioquinanthrene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.102768246 u
Formula C24H20N4O2S2
InChI InChI=1S/C24H20N4O2S2/c1-27(13-29)11-19-23-21(15-7-3-5-9-17(15)25-19)31-22-16-8-4-6-10-18(16)26-20(24(22)32-23)12-28(2)14-30/h3-10,13-14H,11-12H2,1-2H3
InChIKey OCBALJKVBOXGMM-UHFFFAOYSA-N
Molecular Weight 460.570 g/mol
SMILES C12=C(SC3=C(S2)C(=NC=2C=CC=CC32)CN(C=O)C)C=2C=CC=CC2N=C1CN(C=O)C