| SpectraBase Spectrum ID |
4lebuMKaVd2 |
| Name |
Acebutolol 3TMS |
| Classification |
Beta-Blocker |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
552.323487763 u |
| Formula |
C27H52N2O4Si3 |
| InChI |
InChI=1S/C27H52N2O4Si3/c1-14-15-27(30)29(34(5,6)7)23-16-17-26(25(18-23)22(4)32-35(8,9)10)31-20-24(19-28-21(2)3)33-36(11,12)13/h16-18,21,24,28H,4,14-15,19-20H2,1-3,5-13H3 |
| InChIKey |
WULDAWOPUBUKGW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
552.978 g/mol |
| SMILES |
c1(C(O[Si](C)(C)C)=C)cc(N(C(=O)CCC)[Si](C)(C)C)ccc1OCC(O[Si](C)(C)C)CNC(C)C |
| SPLASH |
splash10-0fk9-8329010000-6b62bf92328c40078e49 |
| 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_5465 |
