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N-Methyldiphenethylamine
SpectraBase Compound ID INqSamz10rt
InChI InChI=1S/C17H21N/c1-18(14-12-16-8-4-2-5-9-16)15-13-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3
InChIKey XVWQQNARVMHZBP-UHFFFAOYSA-N
Mol Weight 239.36 g/mol
Molecular Formula C17H21N
Exact Mass 239.1674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYPunE0nF7Q
Name Demelverine
CAS Registry Number 13977-33-8
Classification Pharmaceutical drug, spasmolytic
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 239.167399680 u
Formula C17H21N
InChI InChI=1S/C17H21N/c1-18(14-12-16-8-4-2-5-9-16)15-13-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3
InChIKey XVWQQNARVMHZBP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 239.362 g/mol
Nominal Mass 239 u
Quality 986
Retention Index 1856
SMILES C=1(CCN(CCC2=CC=CC=C2)C)C=CC=CC1
SPLASH splash10-052b-3900000000-70ab57011172f45163a2
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Demelverina Methphenethamin N-Methyl-N-phenethyl-2-phenyl-ethanamine
Technique GC/MS
Wiley ID DD2024_005186