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Amitriptyline

View entire compound with spectra: 1 FTIR, and 27 MS (GC)

Amitriptyline
SpectraBase Compound ID 6NrQWMgb1kL
InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
InChIKey KRMDCWKBEZIMAB-UHFFFAOYSA-N
Mol Weight 277.41 g/mol
Molecular Formula C20H23N
Exact Mass 277.18305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50eJkLe4W7R
Name Amitriptyline
Catalog Number 15881
CAS Registry Number 549-18-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23N
InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
InChIKey KRMDCWKBEZIMAB-UHFFFAOYSA-N
Molecular Weight 277.411 g/mol
SMILES c12c(C(c3c(CC2)cccc3)=CCCN(C)C)cccc1
SPLASH splash10-0a4i-9230000000-f566a878eb4e840110fa
Source of Spectrum CAY-2023-965-0
Wiley ID 1888922