| SpectraBase Compound ID | GAU6hMCbt83 |
|---|---|
| InChI | InChI=1S/C20H27BN2O3/c1-26-15-2-3-18-17(11-15)16(4-7-22-18)20(25)19-10-13-5-8-23(19,21)12-14(13)6-9-24/h2-4,7,9,11,13-14,19-20,25H,5-6,8,10,12H2,1,21H3/t13-,14-,19+,20+,23-/m1/s1 |
| InChIKey | YDWVLKRLVGYYPZ-CIZLAQFSSA-N |
| Mol Weight | 352.2 g/mol |
| Molecular Formula | C20H25BN2O3 |
| Exact Mass | 352.195823 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 79KplVlQA7z |
|---|---|
| Name | (3R,8R,9S)-3-Formylmethylene-6'-methoxyruban-9-ol |
| Alternate Name(s) | {1-Boranyl-6-[(S)-hydroxy-(6-methoxy-quinolin-4-yl)-methyl]-1-aza-bicyclo[2.2.2]oct-3-yl}-acetaldehyde |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H27BN2O3 |
| InChI | InChI=1S/C20H27BN2O3/c1-26-15-2-3-18-17(11-15)16(4-7-22-18)20(25)19-10-13-5-8-23(19,21)12-14(13)6-9-24/h2-4,7,9,11,13-14,19-20,25H,5-6,8,10,12H2,1,21H3/t13-,14-,19+,20+,23-/m1/s1 |
| InChIKey | YDWVLKRLVGYYPZ-CIZLAQFSSA-N |
| Molecular Weight | 352.241 g/mol |
| SMILES | O[C@]([C@]1([N@+]2(CC[C@](C1)([C@@](C2)(CC=O)[H])[H])[BH-])[H])(c1c2c(ncc1)ccc(c2)OC)[H] |
| SPLASH | splash10-03dr-2922000000-29d4650eb974e804916b |
| Source of Spectrum | F-54-3511-15 |
| Wiley ID | 806427 |