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Torasemide-A II
SpectraBase Compound ID KDd13gWXZKd
InChI InChI=1S/C12H12N2/c1-10-3-2-4-12(9-10)14-11-5-7-13-8-6-11/h2-9H,1H3,(H,13,14)
InChIKey LDETWSQJUZFMDA-UHFFFAOYSA-N
Mol Weight 184.24 g/mol
Molecular Formula C12H12N2
Exact Mass 184.100048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIlhT1JySEy
Name Torasemide-A II
Classification Pharmaceutical drug artifact
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 184.100048394 u
Formula C12H12N2
InChI InChI=1S/C12H12N2/c1-10-3-2-4-12(9-10)14-11-5-7-13-8-6-11/h2-9H,1H3,(H,13,14)
InChIKey LDETWSQJUZFMDA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 184.242 g/mol
Nominal Mass 184 u
Quality 900
Retention Index 1894
SMILES C=1(NC=2C=CN=CC2)C=C(C=CC1)C
SPLASH splash10-001i-7900000000-0a8459473e33a39909fc
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(3-Methylphenyl)-4-pyriidinamine
Technique GC/MS
Wiley ID DD2024_010410