| SpectraBase Compound ID | 9V87eEMOnym |
|---|---|
| InChI | InChI=1S/C17H21NO4.BrH/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11-,12-,13-,14+,15-,16+;/m1./s1 |
| InChIKey | WTGQALLALWYDJH-MOUKNHLCSA-N |
| Mol Weight | 384.27 g/mol |
| Molecular Formula | C17H22BrNO4 |
| Exact Mass | 383.073221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BT3vI1EfHqZ |
|---|---|
| Name | SCOPOLAMINE-HBR-AX-ME |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H22BrNO4 |
| InChI | InChI=1S/C17H21NO4.BrH/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11-,12-,13-,14+,15-,16+;/m1./s1 |
| InChIKey | WTGQALLALWYDJH-MOUKNHLCSA-N |
| Literature Reference Author | R.GLASER,D.SHIFTAN |
| Literature Reference Citation | J.ORG.CHEM.,64,9217(1999) |
| Literature Reference DOI | 10.1021/jo9912956 |
| Molecular Weight | 384.270 g/mol |
| Sample ID | 46091 |
| Solvent | CD2Cl2 |