| 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
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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 |