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Labetalol 2TMS
SpectraBase Compound ID 65dLTOvGSFL
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
Mol Weight 472.8 g/mol
Molecular Formula C25H40N2O3Si2
Exact Mass 472.257746 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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