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Pinacyanol bromide

View entire compound with spectra: 2 NMR, and 1 FTIR

Pinacyanol bromide
SpectraBase Compound ID F8cCAKwaRyw
InChI InChI=1S/C25H25N2.BrH/c1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKey COPIHGSSCONEQG-UHFFFAOYSA-M
Mol Weight 433.39 g/mol
Molecular Formula C25H25BrN2
Exact Mass 432.120112 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5rwj1eX4YQQ
Name Pinacyanol bromide
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 281980
CAS Registry Number 2670-67-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H25BrN2
InChI InChI=1S/C25H25N2.BrH/c1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKey COPIHGSSCONEQG-UHFFFAOYSA-M
Observed nucleus 13C
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1,1'-Diethyl-2,2'-carbocyanine bromide; 2,2'-Trimethinequinocyanine bromide
Wiley ID SIAL_13CNMR_005245