| SpectraBase Spectrum ID |
JGyzfKLVQCO |
| Name |
Metoprolol |
| CAS Registry Number |
54163-88-1 |
| Classification |
Pharmaceutical drug, beta-adrenergic blocker |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
267.183443666 u |
| Formula |
C15H25NO3 |
| InChI |
InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3 |
| InChIKey |
IUBSYMUCCVWXPE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
267.369 g/mol |
| Nominal Mass |
267 u |
| Quality |
988 |
| Retention Index |
2052 |
| SMILES |
OC(CNC(C)C)COC=1C=CC(=CC1)CCOC |
| SPLASH |
splash10-00di-9200000000-cbfa90631ab095acb672 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-iso-Propylamino-3-[4-(2-methoxyethyl)phenoxy]-2-propanol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002448 |
