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5-[3-Ethoxy-4-(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)-2-butenylidene]-3-ethyl-2-[(3-ethyl-4,5-diphenyl-2(3H)-thiazolylidene)methyl]-4,5-dihydro-4-oxothiazolium iodide
SpectraBase Compound ID 36To0us6VWL
InChI InChI=1S/C39H40N3O2S3.HI/c1-6-40-31-24-27(5)20-22-32(31)45-34(40)25-30(44-9-4)21-23-33-39(43)42(8-3)36(46-33)26-35-41(7-2)37(28-16-12-10-13-17-28)38(47-35)29-18-14-11-15-19-29;/h10-26H,6-9H2,1-5H3;1H/q+1;/p-1
InChIKey RRGPZNSNORJTEB-UHFFFAOYSA-M
Mol Weight 805.9 g/mol
Molecular Formula C39H40IN3O2S3
Exact Mass 805.132736 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GPeBZa6pgk5
Name 5-[3-Ethoxy-4-(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)-2-butenylidene]-3-ethyl-2-[(3-ethyl-4,5-diphenyl-2(3H)-thiazolylidene)methyl]-4,5-dihydro-4-oxothiazolium iodide
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 386200
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H40IN3O2S3
InChI InChI=1S/C39H40N3O2S3.HI/c1-6-40-31-24-27(5)20-22-32(31)45-34(40)25-30(44-9-4)21-23-33-39(43)42(8-3)36(46-33)26-35-41(7-2)37(28-16-12-10-13-17-28)38(47-35)29-18-14-11-15-19-29;/h10-26H,6-9H2,1-5H3;1H/q+1;/p-1
InChIKey RRGPZNSNORJTEB-UHFFFAOYSA-M
Molecular Weight 805.852 g/mol
Observed nucleus 1H
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_013962