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Etafenone
SpectraBase Compound ID Huis98T3nFW
InChI InChI=1S/C21H27NO2/c1-3-22(4-2)16-17-24-21-13-9-8-12-19(21)20(23)15-14-18-10-6-5-7-11-18/h5-13H,3-4,14-17H2,1-2H3
InChIKey OEGDFSLNGABBKJ-UHFFFAOYSA-N
Mol Weight 325.45 g/mol
Molecular Formula C21H27NO2
Exact Mass 325.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QPQQlRAOm
Name Etafenone
CAS Registry Number 90-54-0
Classification Coronary dilator
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 325.204179111 u
Formula C21H27NO2
InChI InChI=1S/C21H27NO2/c1-3-22(4-2)16-17-24-21-13-9-8-12-19(21)20(23)15-14-18-10-6-5-7-11-18/h5-13H,3-4,14-17H2,1-2H3
InChIKey OEGDFSLNGABBKJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 325.452 g/mol
SMILES c1(ccccc1)CCC(c1c(OCCN(CC)CC)cccc1)=O
SPLASH splash10-000i-9100000000-ddc170e142591a0776be
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_2503