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Amitriptyline-A (-C2H7N)
SpectraBase Compound ID 24JJfGMUMyG
InChI InChI=1S/C18H16/c1-2-7-18-16-10-5-3-8-14(16)12-13-15-9-4-6-11-17(15)18/h2-11H,1,12-13H2
InChIKey WYNDAXXIOHYNBD-UHFFFAOYSA-N
Mol Weight 232.33 g/mol
Molecular Formula C18H16
Exact Mass 232.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vE7rvr0jCX
Name Amitriptyline-A (-C2H7N)
Classification Pharmaceutical drug artifact
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 232.125200515 u
Formula C18H16
InChI InChI=1S/C18H16/c1-2-7-18-16-10-5-3-8-14(16)12-13-15-9-4-6-11-17(15)18/h2-11H,1,12-13H2
InChIKey WYNDAXXIOHYNBD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 232.326 g/mol
Nominal Mass 232 u
Quality 924
Retention Index 1792
SMILES C1(C2=C(CCC3=C1C=CC=C3)C=CC=C2)=CC=C
SPLASH splash10-0159-2690000000-44844e02d11354623017
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 5-(2-Propenylidene)-10,11-dihydro-5H-dibenzo[a,d]cycloheptene
Technique GC/MS
Wiley ID DD2024_005645