| SpectraBase Compound ID | 3oBJeMvOZjH |
|---|---|
| InChI | InChI=1S/C17H23NO3.CH4O3S/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2-6,13-16,19H,7-11H2,1H3;1H3,(H,2,3,4)/t13-,14+,15+,16-;/m1./s1 |
| InChIKey | PUXOJRUWWICCQT-PGQIENJJSA-N |
| Mol Weight | 385.47 g/mol |
| Molecular Formula | C18H27NO6S |
| Exact Mass | 385.155909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K1dbsAOyYUe |
|---|---|
| Name | ATROPINE-AX-ME-MESYLATE |
| Compound Number | 10A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H27NO6S |
| InChI | InChI=1S/C17H23NO3.CH4O3S/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2-6,13-16,19H,7-11H2,1H3;1H3,(H,2,3,4)/t13-,14+,15+,16-;/m1./s1 |
| InChIKey | PUXOJRUWWICCQT-PGQIENJJSA-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 | 385.475 g/mol |
| Sample ID | 46101 |
| Solvent | CD2Cl2 |