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Adiphenine
SpectraBase Compound ID lk0vGAGlgL
InChI InChI=1S/C20H25NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3
InChIKey JGOAIQNSOGZNBX-UHFFFAOYSA-N
Mol Weight 311.43 g/mol
Molecular Formula C20H25NO2
Exact Mass 311.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8eaNCB1k8vV
Name Adiphenine
CAS Registry Number 64-95-9
Classification Antispasmotic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 311.188529047 u
Formula C20H25NO2
InChI InChI=1S/C20H25NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3
InChIKey JGOAIQNSOGZNBX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 311.425 g/mol
SMILES C(COC(=O)C(c1ccccc1)c1ccccc1)N(CC)CC
SPLASH splash10-000i-9300000000-843161617788e71a1d33
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_6