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3-thiazolidineacetic acid, alpha-(1-methylethyl)-4-oxo-5-[(2,3,6,7-tetrahydro-7-oxo[1,4]dioxino[2,3-g]quinolin-8-yl)methylene]-2-thioxo-, (5E)-
SpectraBase Compound ID Gf1gDNhBgk7
InChI InChI=1S/C20H18N2O6S2/c1-9(2)16(19(25)26)22-18(24)15(30-20(22)29)7-11-5-10-6-13-14(28-4-3-27-13)8-12(10)21-17(11)23/h5-9,16H,3-4H2,1-2H3,(H,21,23)(H,25,26)/b15-7+
InChIKey BHIAVBCENULYJH-VIZOYTHASA-N
Mol Weight 446.49 g/mol
Molecular Formula C20H18N2O6S2
Exact Mass 446.060629 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E3LWwvWzrZx
Name 3-thiazolidineacetic acid, alpha-(1-methylethyl)-4-oxo-5-[(2,3,6,7-tetrahydro-7-oxo[1,4]dioxino[2,3-g]quinolin-8-yl)methylene]-2-thioxo-, (5E)-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H18N2O6S2/c1-9(2)16(19(25)26)22-18(24)15(30-20(22)29)7-11-5-10-6-13-14(28-4-3-27-13)8-12(10)21-17(11)23/h5-9,16H,3-4H2,1-2H3,(H,21,23)(H,25,26)/b15-7+
InChIKey BHIAVBCENULYJH-VIZOYTHASA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_2118
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: F14389; Labnumber: EXGOR1-18577