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Tropisetron
SpectraBase Compound ID 7rljRYezn2n
InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13-
InChIKey ZNRGQMMCGHDTEI-CLLJXQQHSA-N
Mol Weight 284.36 g/mol
Molecular Formula C17H20N2O2
Exact Mass 284.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJLXD7kioBk
Name Tropisetron
CAS Registry Number 89565-68-4
Classification 5-HT3-Antagonist
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 284.152477890 u
Formula C17H20N2O2
InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13-
InChIKey ZNRGQMMCGHDTEI-CLLJXQQHSA-N
Ionization Type Chemical Ionization (CI)
Molecular Weight 284.359 g/mol
Nominal Mass 284 u
Reagent Gas Methane
Retention Index 2348
SMILES C1=2C(C(O[C@]3(C[C@]4(N([C@@](C3)(CC4)[H])C)[H])[H])=O)=CNC2C=CC=C1
SPLASH splash10-00di-0910000000-6dab236844d7dca12cf2
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate
Technique GC/MS
Wiley ID DD2024_004216