| SpectraBase Spectrum ID |
47sjbLmAE4 |
| Name |
Bunitrolol AC |
| Classification |
Beta-Blocker |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
290.163042573 u |
| Formula |
C16H22N2O3 |
| InChI |
InChI=1S/C16H22N2O3/c1-12(19)21-14(10-18-16(2,3)4)11-20-15-8-6-5-7-13(15)9-17/h5-8,14,18H,10-11H2,1-4H3 |
| InChIKey |
JKGRIRYKFGSOTA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
290.363 g/mol |
| SMILES |
c1c(c(C#N)ccc1)OCC(OC(=O)C)CNC(C)(C)C |
| SPLASH |
splash10-052s-9110000000-bdb1d7b25aa0ffcf5985 |
| 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_1351 |
