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2-((E)-{5,5-dimethyl-3-[(E)-2-(methylanilino)ethenyl]-2-cyclohexen-1-ylidene}methyl)-3-ethyl-1,3-benzothiazol-3-ium iodide

View entire compound with spectra: 1 NMR

2-((E)-{5,5-dimethyl-3-[(E)-2-(methylanilino)ethenyl]-2-cyclohexen-1-ylidene}methyl)-3-ethyl-1,3-benzothiazol-3-ium iodide
SpectraBase Compound ID D5k8wvZyPOb
InChI InChI=1S/C27H31N2S.HI/c1-5-29-24-13-9-10-14-25(24)30-26(29)18-22-17-21(19-27(2,3)20-22)15-16-28(4)23-11-7-6-8-12-23;/h6-18H,5,19-20H2,1-4H3;1H/q+1;/p-1
InChIKey SZVICVMNZJHPAG-UHFFFAOYSA-M
Mol Weight 542.52 g/mol
Molecular Formula C27H31IN2S
Exact Mass 542.125265 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K9cbJagMxYi
Name 2-((E)-{5,5-dimethyl-3-[(E)-2-(methylanilino)ethenyl]-2-cyclohexen-1-ylidene}methyl)-3-ethyl-1,3-benzothiazol-3-ium iodide
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/C27H31N2S.HI/c1-5-29-24-13-9-10-14-25(24)30-26(29)18-22-17-21(19-27(2,3)20-22)15-16-28(4)23-11-7-6-8-12-23;/h6-18H,5,19-20H2,1-4H3;1H/q+1;/p-1
InChIKey SZVICVMNZJHPAG-UHFFFAOYSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_10683
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: 135563; Labnumber: TOKS-1978; VK_ID: VK-010687
Synonyms 2-({5,5-dimethyl-3-[2-(methylanilino)ethenyl]-2-cyclohexen-1-ylidene}methyl)-3-ethyl-1,3-benzothiazol-3-ium iodide
Temperature 318 °C