| SpectraBase Spectrum ID |
4lhj1Ade8uN |
| Name |
Bunitrolol |
| CAS Registry Number |
34915-68-9 |
| Classification |
Beta-Blocker |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
248.152477890 u |
| Formula |
C14H20N2O2 |
| InChI |
InChI=1S/C14H20N2O2/c1-14(2,3)16-9-12(17)10-18-13-7-5-4-6-11(13)8-15/h4-7,12,16-17H,9-10H2,1-3H3 |
| InChIKey |
VCVQSRCYSKKPBA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
248.326 g/mol |
| SMILES |
c1c(OCC(CNC(C)(C)C)O)c(ccc1)C#N |
| SPLASH |
splash10-000i-9110000000-477b130ccb1683b1ed61 |
| 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. |
| 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_2608 |
