SpectraBase Spectrum ID |
3a9BaD3x2W |
Name |
Timolol |
CAS Registry Number |
26839-75-8 |
Classification |
Beta-Blocker |
Copyright |
Copyright © 2023-2024 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 |
InChIKey |
BLJRIMJGRPQVNF-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
316.420 g/mol |
SMILES |
CC(NCC(COc1c(nsn1)N1CCOCC1)O)(C)C |
SPLASH |
splash10-000i-9300000000-8a879a7ccc42382a82db |
Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
Sample Preparation Procedure |
Detected: G P |
Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
Technique |
GC/MS |
Wiley ID |
MMPW6e_2613 |