| SpectraBase Compound ID | LcayijQpeF8 |
|---|---|
| InChI | InChI=1S/2C15H25NO3.C4H6O6/c2*1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-1(3(7)8)2(6)4(9)10/h2*4-7,12,14,16-17H,8-11H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1 |
| InChIKey | YGULWPYYGQCFMP-CEAXSRTFSA-N |
| Mol Weight | 684.82 g/mol |
| Molecular Formula | C34H56N2O12 |
| Exact Mass | 684.383325 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Emvkyr9T1ZF |
|---|---|
| Name | Metoprolol |
| Catalog Number | 21165 |
| CAS Registry Number | 56392-17-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H56N2O12 |
| InChI | InChI=1S/2C15H25NO3.C4H6O6/c2*1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-1(3(7)8)2(6)4(9)10/h2*4-7,12,14,16-17H,8-11H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1 |
| InChIKey | YGULWPYYGQCFMP-CEAXSRTFSA-N |
| Molecular Weight | 684.824 g/mol |
| SMILES | N(CC(COc1ccc(cc1)CCOC)O)C(C)C.N(CC(COc1ccc(cc1)CCOC)O)C(C)C.OC([C@@]([C@](C(O)=O)(O)[H])(O)[H])=O |
| SPLASH | splash10-00di-9200000000-2e76e56b2d70feb504be |
| Source of Spectrum | CAY-2023-910-0 |
| Wiley ID | 1888868 |