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trans-4-[4-(Dibutylamino)styryl]-1-(3-sulfopropyl)pyridinium hydroxide, inner salt hydrate
SpectraBase Compound ID 54PBCPUz5cP
InChI InChI=1S/C24H34N2O3S.O/c1-3-5-17-26(18-6-4-2)24-12-10-22(11-13-24)8-9-23-14-19-25(20-15-23)16-7-21-30(27,28)29;/h8-15,19-20H,3-7,16-18,21H2,1-2H3;
InChIKey DVRYUYDQOLHOKM-UHFFFAOYSA-N
Mol Weight 446.6 g/mol
Molecular Formula C24H34N2O4S
Exact Mass 446.223929 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9A2PHASdwTH
Name trans-4-[4-(Dibutylamino)styryl]-1-(3-sulfopropyl)pyridinium hydroxide, inner salt hydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 338508
CAS Registry Number 123334-04-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34N2O4S
InChI InChI=1S/C24H34N2O3S.O/c1-3-5-17-26(18-6-4-2)24-12-10-22(11-13-24)8-9-23-14-19-25(20-15-23)16-7-21-30(27,28)29;/h8-15,19-20H,3-7,16-18,21H2,1-2H3;
InChIKey DVRYUYDQOLHOKM-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3-(4-{(1E)-2-[4-(dibutylamino)phenyl]vinyl}pyridyl)propanesulfonic acid, hydrate
Wiley ID SIAL_13CNMR_006932