| SpectraBase Spectrum ID |
EqhKSgbwBL |
| Name |
Bunitrolol-M (HO-) 2AC |
| Classification |
Beta-Blocker |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
348.168521876 u |
| Formula |
C18H24N2O5 |
| InChI |
InChI=1S/C18H24N2O5/c1-12(21)24-15-6-7-17(14(8-15)9-19)23-11-16(25-13(2)22)10-20-18(3,4)5/h6-8,16,20H,10-11H2,1-5H3 |
| InChIKey |
ZZSYDFNETHDCBU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
348.399 g/mol |
| SMILES |
c1c(OCC(CNC(C)(C)C)OC(C)=O)c(C#N)cc(c1)OC(C)=O |
| SPLASH |
splash10-053i-9111000000-371436b04e2fce035b2f |
| 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: UHYAC |
| 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_1587 |
