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2,7-Dioxoctane-1,8-bis(3-methylbenzothiazol-2-ylidene)

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2,7-Dioxoctane-1,8-bis(3-methylbenzothiazol-2-ylidene)
SpectraBase Compound ID FKyzRX5p0JQ
InChI InChI=1S/C24H24N2O2S2/c1-25-19-11-5-7-13-21(19)29-23(25)15-17(27)9-3-4-10-18(28)16-24-26(2)20-12-6-8-14-22(20)30-24/h5-8,11-16H,3-4,9-10H2,1-2H3/b23-15-,24-16+
InChIKey HNDDHEMDAHTJRE-REPVBDINSA-N
Mol Weight 436.59 g/mol
Molecular Formula C24H24N2O2S2
Exact Mass 436.12792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DAfaMWSE0p2
Name 2,7-Dioxoctane-1,8-bis(3-methylbenzothiazol-2-ylidene)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.127920367 u
Formula C24H24N2O2S2
InChI InChI=1S/C24H24N2O2S2/c1-25-19-11-5-7-13-21(19)29-23(25)15-17(27)9-3-4-10-18(28)16-24-26(2)20-12-6-8-14-22(20)30-24/h5-8,11-16H,3-4,9-10H2,1-2H3/b23-15-,24-16+
InChIKey HNDDHEMDAHTJRE-REPVBDINSA-N
Molecular Weight 436.588 g/mol
SMILES C1=2N(\C(SC1=CC=CC2)=C/C(=O)CCCCC(\C=C\1N(C=2C=CC=CC2S1)C)=O)C