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3-{2-[(Z)-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
SpectraBase Compound ID LNDtRlFmkwe
InChI InChI=1S/C16H12N2O4S/c1-17-14(19)13(23-16(17)22)9-12-6-3-7-18(12)11-5-2-4-10(8-11)15(20)21/h2-9H,1H3,(H,20,21)/b13-9-
InChIKey RHCSRIZWNIZTNG-LCYFTJDESA-N
Mol Weight 328.34 g/mol
Molecular Formula C16H12N2O4S
Exact Mass 328.051778 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GuxlZ7PLMD8
Name 3-{2-[(Z)-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
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/C16H12N2O4S/c1-17-14(19)13(23-16(17)22)9-12-6-3-7-18(12)11-5-2-4-10(8-11)15(20)21/h2-9H,1H3,(H,20,21)/b13-9-
InChIKey RHCSRIZWNIZTNG-LCYFTJDESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7935
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: D47918; Labnumber: SPDEM4-09605; SBI_ID: SBI-007938
Synonyms 3-{2-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
Temperature 318 °C