| SpectraBase Compound ID | GSokcrKPoKA |
|---|---|
| InChI | InChI=1S/C27H29N3O2/c1-3-18-17-30-14-12-20(18)15-25(30)26(29-27(31)19-7-5-4-6-8-19)22-11-13-28-24-10-9-21(32-2)16-23(22)24/h3-11,13,16,18,20,25-26H,1,12,14-15,17H2,2H3,(H,29,31)/t18-,20-,25-,26-/m1/s1 |
| InChIKey | XMLHYUQBMGVFAZ-SHKCYZCESA-N |
| Mol Weight | 427.55 g/mol |
| Molecular Formula | C27H29N3O2 |
| Exact Mass | 427.225977 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Be44lmlqFy0 |
|---|---|
| Name | N-(9'-Deoxyquinin-9'-yl)benzamide |
| Alternate Name(s) | N-[(9R)-6'-methoxycinchonan-9-yl]benzamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H29N3O2 |
| InChI | InChI=1S/C27H29N3O2/c1-3-18-17-30-14-12-20(18)15-25(30)26(29-27(31)19-7-5-4-6-8-19)22-11-13-28-24-10-9-21(32-2)16-23(22)24/h3-11,13,16,18,20,25-26H,1,12,14-15,17H2,2H3,(H,29,31)/t18-,20-,25-,26-/m1/s1 |
| InChIKey | XMLHYUQBMGVFAZ-SHKCYZCESA-N |
| Molecular Weight | 427.548 g/mol |
| SMILES | N([C@@]([C@@]1(N2C[C@]([C@@](C1)(CC2)[H])(C=C)[H])[H])(c1c2c(ccc(c2)OC)ncc1)[H])C(=O)c1ccccc1 |
| SPLASH | splash10-000i-0900000000-36cfdda7ec6ace999c01 |
| Source of Spectrum | AN-106-82-5 |
| Wiley ID | 747649 |