| SpectraBase Compound ID | 3WmefS9OJYp |
|---|---|
| InChI | InChI=1S/C21H24N2O2/c1-3-15-13-23-11-9-16(15)12-20(23)21(25-14(2)24)18-8-10-22-19-7-5-4-6-17(18)19/h3-8,10,15-16,20-21H,1,9,11-13H2,2H3/t15-,16-,20?,21+/m1/s1 |
| InChIKey | NDBICTMGDYGBFE-APPXOACKSA-N |
| Mol Weight | 336.44 g/mol |
| Molecular Formula | C21H24N2O2 |
| Exact Mass | 336.183778 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FPeXVdKCW4Q |
|---|---|
| Name | AcCN |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H24N2O2 |
| InChI | InChI=1S/C21H24N2O2/c1-3-15-13-23-11-9-16(15)12-20(23)21(25-14(2)24)18-8-10-22-19-7-5-4-6-17(18)19/h3-8,10,15-16,20-21H,1,9,11-13H2,2H3/t15-,16-,20?,21+/m1/s1 |
| InChIKey | NDBICTMGDYGBFE-APPXOACKSA-N |
| Molecular Weight | 336.435 g/mol |
| SMILES | C1(N2CC[C@](C1)([C@@](C2)(C=C)[H])[H])[C@](c1c2c(cccc2)ncc1)(OC(=O)C)[H] |
| SPLASH | splash10-000i-0924000000-175fab18de43c47e61c3 |
| Source of Spectrum | O-35-713-18 |
| Synonyms | (9S)-cinchonan-9-yl acetate Acetylcinchonine |
| Wiley ID | 818204 |