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Hydroquinidine 4-chlorobenzoate
SpectraBase Compound ID 41PK0Q5t4Dw
InChI InChI=1S/C27H29ClN2O3/c1-3-17-16-30-13-11-19(17)14-25(30)26(33-27(31)18-4-6-20(28)7-5-18)22-10-12-29-24-9-8-21(32-2)15-23(22)24/h4-10,12,15,17,19,25-26H,3,11,13-14,16H2,1-2H3/t17-,19-,25+,26-/m1/s1
InChIKey TXVNNFDXQZFMBQ-YYAVLRMZSA-N
Mol Weight 464.99 g/mol
Molecular Formula C27H29ClN2O3
Exact Mass 464.18667 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID InF1iLTsIzR
Name Hydroquinidine 4-chlorobenzoate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 336483
CAS Registry Number 113162-02-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29ClN2O3
InChI InChI=1S/C27H29ClN2O3/c1-3-17-16-30-13-11-19(17)14-25(30)26(33-27(31)18-4-6-20(28)7-5-18)22-10-12-29-24-9-8-21(32-2)15-23(22)24/h4-10,12,15,17,19,25-26H,3,11,13-14,16H2,1-2H3/t17-,19-,25+,26-/m1/s1
InChIKey TXVNNFDXQZFMBQ-YYAVLRMZSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms O-(4-Chlorobenzoyl)hydroquinidine Dihydroquinidine 4-chlorobenzoate
Wiley ID SIAL_13CNMR_006856