| SpectraBase Compound ID | Fa91DQsPDVj |
|---|---|
| InChI | InChI=1S/C17H21NO4.Br/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;/t11-,12-,13-,14-,15-,16+;/m1./s1 |
| InChIKey | XUZPYCBMTSSDHK-ZUOOVJQRSA-N |
| Mol Weight | 383.26 g/mol |
| Molecular Formula | C17H21BrNO4 |
| Exact Mass | 382.065396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 5EVXBxZ4Q0N |
|---|---|
| Name | Scopolamine hydrobromide hydrate |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 141992 |
| CAS Registry Number | 114-49-8 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H21BrNO4 |
| InChI | InChI=1S/C17H21NO4.Br/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;/t11-,12-,13-,14-,15-,16+;/m1./s1 |
| InChIKey | XUZPYCBMTSSDHK-ZUOOVJQRSA-N |
| Observed nucleus | 13C |
| Purity | 98% |
| Solvent | CDCl3 & DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Wiley ID | SIAL_13CNMR_001219 |