| SpectraBase Spectrum ID |
4Y4QInuom8 |
| Name |
Labetalol 3TMS |
| Classification |
Antihypertensive |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
544.297273016 u |
| Formula |
C28H48N2O3Si3 |
| InChI |
InChI=1S/C28H48N2O3Si3/c1-22(16-17-23-14-12-11-13-15-23)30(34(2,3)4)21-27(33-36(8,9)10)24-18-19-26(32-35(5,6)7)25(20-24)28(29)31/h11-15,18-20,22,27H,16-17,21H2,1-10H3,(H2,29,31) |
| InChIKey |
NRXNBXAOTWPPMA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
544.958 g/mol |
| SMILES |
c1(c(O[Si](C)(C)C)ccc(C(CN([Si](C)(C)C)C(CCc2ccccc2)C)O[Si](C)(C)C)c1)C(=O)N |
| SPLASH |
splash10-001i-6590000000-c3b99be4e4e53c08a028 |
| 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_5490 |
