For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-[2,5-dimethyl-3-((E)-{[(4-methylphenyl)sulfonyl]hydrazono}methyl)-1H-pyrrol-1-yl]isophthalic acid
SpectraBase Compound ID CXDSutV4675
InChI InChI=1S/C22H21N3O6S/c1-13-4-6-20(7-5-13)32(30,31)24-23-12-18-8-14(2)25(15(18)3)19-10-16(21(26)27)9-17(11-19)22(28)29/h4-12,24H,1-3H3,(H,26,27)(H,28,29)/b23-12+
InChIKey YOKLBOWVAIXFLC-FSJBWODESA-N
Mol Weight 455.49 g/mol
Molecular Formula C22H21N3O6S
Exact Mass 455.115107 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID TqJNztCw3S
Name 5-[2,5-dimethyl-3-((E)-{[(4-methylphenyl)sulfonyl]hydrazono}methyl)-1H-pyrrol-1-yl]isophthalic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H21N3O6S/c1-13-4-6-20(7-5-13)32(30,31)24-23-12-18-8-14(2)25(15(18)3)19-10-16(21(26)27)9-17(11-19)22(28)29/h4-12,24H,1-3H3,(H,26,27)(H,28,29)/b23-12+
InChIKey YOKLBOWVAIXFLC-FSJBWODESA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10065
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: 1001614; UBI_ID: UBI-010068
Synonyms 5-[2,5-dimethyl-3-({[(4-methylphenyl)sulfonyl]hydrazono}methyl)-1H-pyrrol-1-yl]isophthalic acid
Temperature 315 °C