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Benactyzine
SpectraBase Compound ID DirABCnPygy
InChI InChI=1S/C20H25NO3/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,23H,3-4,15-16H2,1-2H3
InChIKey IVQOFBKHQCTVQV-UHFFFAOYSA-N
Mol Weight 327.42 g/mol
Molecular Formula C20H25NO3
Exact Mass 327.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID VgA9LOiky
Name Benactyzine
CAS Registry Number 302-40-9
Classification Sedative
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 327.183443666 u
Formula C20H25NO3
InChI InChI=1S/C20H25NO3/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,23H,3-4,15-16H2,1-2H3
InChIKey IVQOFBKHQCTVQV-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 327.424 g/mol
SMILES c1(ccccc1)C(O)(C(=O)OCCN(CC)CC)c1ccccc1
SPLASH splash10-052r-9400000000-7b07e5cd5978155d2a3e
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_1391