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Atenolol 4TMS
SpectraBase Compound ID 5EzuNpwyznN
InChI InChI=1S/C26H54N2O3Si4/c1-22(2)27(32(3,4)5)20-25(31-35(12,13)14)21-30-24-17-15-23(16-18-24)19-26(29)28(33(6,7)8)34(9,10)11/h15-18,22,25H,19-21H2,1-14H3
InChIKey HQWKGZLMYNMWRG-UHFFFAOYSA-N
Mol Weight 555.1 g/mol
Molecular Formula C26H54N2O3Si4
Exact Mass 554.32115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B37qeFAw1rs
Name Atenolol 4TMS
Classification Beta-Blocker
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 554.321149744 u
Formula C26H54N2O3Si4
InChI InChI=1S/C26H54N2O3Si4/c1-22(2)27(32(3,4)5)20-25(31-35(12,13)14)21-30-24-17-15-23(16-18-24)19-26(29)28(33(6,7)8)34(9,10)11/h15-18,22,25H,19-21H2,1-14H3
InChIKey HQWKGZLMYNMWRG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 555.069 g/mol
SMILES C(N([Si](C)(C)C)[Si](C)(C)C)(Cc1ccc(OCC(CN([Si](C)(C)C)C(C)C)O[Si](C)(C)C)cc1)=O
SPLASH splash10-00dm-5910000000-df1e93e9057e0fd49656
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_5472