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3-thiazolidineacetic acid, 5-[(2-methyl-2H-1-benzopyran-3-yl)methylene]-4-oxo-alpha-phenyl-2-thioxo-, (5E)-
SpectraBase Compound ID 4121XabBR0y
InChI InChI=1S/C22H17NO4S2/c1-13-16(11-15-9-5-6-10-17(15)27-13)12-18-20(24)23(22(28)29-18)19(21(25)26)14-7-3-2-4-8-14/h2-13,19H,1H3,(H,25,26)/b18-12+
InChIKey FEMKSEJEAYWCRE-LDADJPATSA-N
Mol Weight 423.5 g/mol
Molecular Formula C22H17NO4S2
Exact Mass 423.0599 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9h5diPDBs5D
Name 3-thiazolidineacetic acid, 5-[(2-methyl-2H-1-benzopyran-3-yl)methylene]-4-oxo-alpha-phenyl-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/C22H17NO4S2/c1-13-16(11-15-9-5-6-10-17(15)27-13)12-18-20(24)23(22(28)29-18)19(21(25)26)14-7-3-2-4-8-14/h2-13,19H,1H3,(H,25,26)/b18-12+
InChIKey FEMKSEJEAYWCRE-LDADJPATSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_2100
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: F14368; Labnumber: EXGOR1-18383