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6-chloro-1,3-diethyl-2-[(1E,3E)-3-(3-methyl-1,3-thiazolidin-2-ylidene)-1-propenyl]-3H-benzimidazol-1-ium 4-methylbenzenesulfonate
SpectraBase Compound ID KK0AK6ym6dI
InChI InChI=1S/C18H23ClN3S.C7H8O3S/c1-4-21-15-10-9-14(19)13-16(15)22(5-2)17(21)7-6-8-18-20(3)11-12-23-18;1-6-2-4-7(5-3-6)11(8,9)10/h6-10,13H,4-5,11-12H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey LMXMWROJVBKWOI-UHFFFAOYSA-M
Mol Weight 520.11 g/mol
Molecular Formula C25H30ClN3O3S2
Exact Mass 519.141712 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4BDtHxA2iWJ
Name 6-chloro-1,3-diethyl-2-[(1E,3E)-3-(3-methyl-1,3-thiazolidin-2-ylidene)-1-propenyl]-3H-benzimidazol-1-ium 4-methylbenzenesulfonate
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/C18H23ClN3S.C7H8O3S/c1-4-21-15-10-9-14(19)13-16(15)22(5-2)17(21)7-6-8-18-20(3)11-12-23-18;1-6-2-4-7(5-3-6)11(8,9)10/h6-10,13H,4-5,11-12H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey LMXMWROJVBKWOI-UHFFFAOYSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_15232
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: 987/00001573; Labnumber: 987/00001573218818; VK_ID: VK-015237
Synonyms 6-chloro-1,3-diethyl-2-[3-(3-methyl-1,3-thiazolidin-2-ylidene)-1-propenyl]-3H-benzimidazol-1-ium 4-methylbenzenesulfonate
Temperature 318 °C