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1H-indole-2-carboxylic acid, 3-[(E)-[3-(1-carboxy-2-methylpropyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-6-methoxy-, methyl ester

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1H-indole-2-carboxylic acid, 3-[(E)-[3-(1-carboxy-2-methylpropyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-6-methoxy-, methyl ester
SpectraBase Compound ID 2oo3w5EwPGW
InChI InChI=1S/C20H20N2O6S2/c1-9(2)16(18(24)25)22-17(23)14(30-20(22)29)8-12-11-6-5-10(27-3)7-13(11)21-15(12)19(26)28-4/h5-9,16,21H,1-4H3,(H,24,25)/b14-8+
InChIKey UXKKPYMTPQQKBT-RIYZIHGNSA-N
Mol Weight 448.51 g/mol
Molecular Formula C20H20N2O6S2
Exact Mass 448.076279 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3uh7w61CtrB
Name 1H-indole-2-carboxylic acid, 3-[(E)-[3-(1-carboxy-2-methylpropyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-6-methoxy-, methyl ester
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/C20H20N2O6S2/c1-9(2)16(18(24)25)22-17(23)14(30-20(22)29)8-12-11-6-5-10(27-3)7-13(11)21-15(12)19(26)28-4/h5-9,16,21H,1-4H3,(H,24,25)/b14-8+
InChIKey UXKKPYMTPQQKBT-RIYZIHGNSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9000
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: F33960; Labnumber: EXGOR1-19223