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indole-3-carboxylic acid, tropan-3-yl ester
SpectraBase Compound ID HpLkRaalSkr
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
InChIKey ZNRGQMMCGHDTEI-UHFFFAOYSA-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 wGW5vPkfo
Name Tropisetrone
CAS Registry Number 89565-68-4
Classification Antiemetic
Copyright Copyright © 2023-2024 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
InChIKey ZNRGQMMCGHDTEI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 284.359 g/mol
SMILES c1(C(OC2CC3CCC(N3C)C2)=O)c[nH]c2c1cccc2
SPLASH splash10-00ec-9600000000-09bb28493b4c7dee54eb
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_4633