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2-Ethylsulfanylethyl 2-methyl-4-(6-methyl-4-oxidanylidene-chromen-3-yl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

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2-Ethylsulfanylethyl 2-methyl-4-(6-methyl-4-oxidanylidene-chromen-3-yl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SpectraBase Compound ID 8s9WZPgZLka
InChI InChI=1S/C25H27NO5S/c1-4-32-11-10-30-25(29)21-15(3)26-18-6-5-7-19(27)23(18)22(21)17-13-31-20-9-8-14(2)12-16(20)24(17)28/h8-9,12-13,22,26H,4-7,10-11H2,1-3H3
InChIKey NQQNBVOUVCPSCY-UHFFFAOYSA-N
Mol Weight 453.55 g/mol
Molecular Formula C25H27NO5S
Exact Mass 453.160994 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3aMelnlB6Ra
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-, 2-(ethylthio)ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.160994142 u
Formula C25H27NO5S
InChI InChI=1S/C25H27NO5S/c1-4-32-11-10-30-25(29)21-15(3)26-18-6-5-7-19(27)23(18)22(21)17-13-31-20-9-8-14(2)12-16(20)24(17)28/h8-9,12-13,22,26H,4-7,10-11H2,1-3H3
InChIKey NQQNBVOUVCPSCY-UHFFFAOYSA-N
Molecular Weight 453.553 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9356
Solvent DMSO-d6
Source Vendor ID: NMR/10240498; Lab Info: SAS; Lab Number: SAS-tst3686
Temperature 29.85 °C