SpectraBase Compound ID | EAgD4hsH2fz |
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InChI | InChI=1S/C26H29N2O.ClH/c1-2-20-18-28(17-19-8-4-3-5-9-19)15-13-21(20)16-25(28)26(29)23-12-14-27-24-11-7-6-10-22(23)24;/h2-12,14,20-21,25-26,29H,1,13,15-18H2;1H/q+1;/p-1/t20-,21+,25+,26-,28-;/m0./s1 |
InChIKey | FCHYSBWCOKEPNQ-CHRLZJIXSA-M |
Mol Weight | 420.98 g/mol |
Molecular Formula | C26H29ClN2O |
Exact Mass | 420.196841 g/mol |
SpectraBase Spectrum ID | 1axfqa8ezUg |
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Name | N-Benzylcinchoninium chloride |
Source of Sample | Sigma-Aldrich Co. LLC. |
Catalog Number | 366188 |
CAS Registry Number | 69221-14-3 |
Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C26H29ClN2O |
InChI | InChI=1S/C26H29N2O.ClH/c1-2-20-18-28(17-19-8-4-3-5-9-19)15-13-21(20)16-25(28)26(29)23-12-14-27-24-11-7-6-10-22(23)24;/h2-12,14,20-21,25-26,29H,1,13,15-18H2;1H/q+1;/p-1/t20-,21+,25+,26-,28-;/m0./s1 |
InChIKey | FCHYSBWCOKEPNQ-CHRLZJIXSA-M |
Observed nucleus | 13C |
Purity | 98% |
Solvent | D2O & DCl |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Synonyms | 9-Hydroxy-1-(phenylmethyl)cinchonanium chloride BCNC |
Wiley ID | SIAL_13CNMR_007738 |