| SpectraBase Spectrum ID |
8IapZZvGq5A |
| Name |
Timolol |
| CAS Registry Number |
26839-75-8 |
| Classification |
Pharmaceutical drug, beta-adrenergic blocker |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
316.156911820 u |
| Formula |
C13H24N4O3S |
| InChI |
InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1 |
| InChIKey |
BLJRIMJGRPQVNF-JTQLQIEISA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
316.420 g/mol |
| Nominal Mass |
316 u |
| Quality |
896 |
| Retention Index |
2549 |
| SMILES |
O[C@@](CNC(C)(C)C)(COC=1C(N2CCOCC2)=NSN1)[H] |
| SPLASH |
splash10-000i-9400000000-a68ade0b19c4df32375c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Blocadren
Istalol
(2S)-1-(tert-Butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007979 |
