| SpectraBase Spectrum ID |
DcInDKcIQOC |
| Name |
Labetalol 2TMS |
| Classification |
Antihypertensive |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
472.257746223 u |
| Formula |
C25H40N2O3Si2 |
| InChI |
InChI=1S/C25H40N2O3Si2/c1-19(13-14-20-11-9-8-10-12-20)27-18-24(30-32(5,6)7)21-15-16-23(29-31(2,3)4)22(17-21)25(26)28/h8-12,15-17,19,24,27H,13-14,18H2,1-7H3,(H2,26,28) |
| InChIKey |
HZXXQXJXCJLUOU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
472.776 g/mol |
| SMILES |
c1(c(O[Si](C)(C)C)ccc(c1)C(O[Si](C)(C)C)CNC(CCc1ccccc1)C)C(=O)N |
| SPLASH |
splash10-0c03-9310000000-6d63c687114c2f155e14 |
| 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_5489 |
