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Tertatolol
SpectraBase Compound ID 8n5n0gBraHi
InChI InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
InChIKey HTWFXPCUFWKXOP-UHFFFAOYSA-N
Mol Weight 295.44 g/mol
Molecular Formula C16H25NO2S
Exact Mass 295.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 566lToFW8zY
Name Tertatolol
CAS Registry Number 34784-64-0
Classification Beta-Blocker
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 295.160600221 u
Formula C16H25NO2S
InChI InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
InChIKey HTWFXPCUFWKXOP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 295.441 g/mol
SMILES c12SCCCc2cccc1OCC(CNC(C)(C)C)O
SPLASH splash10-00kr-9620000000-f9bdee3c9aa2d1f883d7
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_4362