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2-[[(4-ketothieno[3,4-C]chromen-3-yl)amino]methylene]-5,5-dimethyl-cyclohexane-1,3-quinone

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2-[[(4-ketothieno[3,4-C]chromen-3-yl)amino]methylene]-5,5-dimethyl-cyclohexane-1,3-quinone
SpectraBase Compound ID Kbf6rUkVpp6
InChI InChI=1S/C20H17NO4S/c1-20(2)7-14(22)12(15(23)8-20)9-21-18-17-13(10-26-18)11-5-3-4-6-16(11)25-19(17)24/h3-6,9-10,21H,7-8H2,1-2H3
InChIKey UIHUYSMIYBFHND-UHFFFAOYSA-N
Mol Weight 367.42 g/mol
Molecular Formula C20H17NO4S
Exact Mass 367.087829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 12YHpmCV2mv
Name 2-[[(4-ketothieno[3,4-C]chromen-3-yl)amino]methylene]-5,5-dimethyl-cyclohexane-1,3-quinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.087829201 u
Formula C20H17NO4S
InChI InChI=1S/C20H17NO4S/c1-20(2)7-14(22)12(15(23)8-20)9-21-18-17-13(10-26-18)11-5-3-4-6-16(11)25-19(17)24/h3-6,9-10,21H,7-8H2,1-2H3
InChIKey UIHUYSMIYBFHND-UHFFFAOYSA-N
Molecular Weight 367.419 g/mol
SMILES C1=2C(=CSC2NC=C2C(CC(CC2=O)(C)C)=O)C=2C=CC=CC2OC1=O