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HBCQYYBWNRXCMU-UHFFFAOYSA-N
SpectraBase Compound ID BuVEB7gcKla
InChI InChI=1S/C14H24N4O3S/c1-14(2,3)18-8-11(21-10-18)9-20-13-12(15-22-16-13)17-4-6-19-7-5-17/h11H,4-10H2,1-3H3
InChIKey HBCQYYBWNRXCMU-UHFFFAOYSA-N
Mol Weight 328.43 g/mol
Molecular Formula C14H24N4O3S
Exact Mass 328.156912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZHOm9V4K0
Name Timolol formyl artifact
Classification Beta-Blocker
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 328.156911820 u
Formula C14H24N4O3S
InChI InChI=1S/C14H24N4O3S/c1-14(2,3)18-8-11(21-10-18)9-20-13-12(15-22-16-13)17-4-6-19-7-5-17/h11H,4-10H2,1-3H3
InChIKey HBCQYYBWNRXCMU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 328.431 g/mol
SMILES CC(N1CC(COc2c(N3CCOCC3)nsn2)OC1)(C)C
SPLASH splash10-0a4r-9500000000-66deebf053b4b7db3664
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_1370