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4-(3-{(E)-[(aminocarbothioyl)hydrazono]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
SpectraBase Compound ID 53u7nyRnHmz
InChI InChI=1S/C15H16N4O2S/c1-9-7-12(8-17-18-15(16)22)10(2)19(9)13-5-3-11(4-6-13)14(20)21/h3-8H,1-2H3,(H,20,21)(H3,16,18,22)/b17-8+
InChIKey CSNAUKRQNJOUPP-CAOOACKPSA-N
Mol Weight 316.38 g/mol
Molecular Formula C15H16N4O2S
Exact Mass 316.099397 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3cqNfoDhsj0
Name 4-(3-{(E)-[(aminocarbothioyl)hydrazono]methyl}-2,5-dimethyl-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/C15H16N4O2S/c1-9-7-12(8-17-18-15(16)22)10(2)19(9)13-5-3-11(4-6-13)14(20)21/h3-8H,1-2H3,(H,20,21)(H3,16,18,22)/b17-8+
InChIKey CSNAUKRQNJOUPP-CAOOACKPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_8925
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: 133338; Labnumber: AREF2K-0356; VK_ID: VK-008929
Synonyms 4-(3-{[(aminocarbothioyl)hydrazono]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Temperature 318 °C