Debug Info

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2myr4ZSpwv2
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2myr4ZSpwv2
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Levamisole-A (H2O,benzoyl) ac
SpectraBase Compound ID 4ZqguPShfbr
InChI InChI=1S/C13H16N2O2S/c1-10(16)15(13-14(2)8-9-18-13)12(17)11-6-4-3-5-7-11/h3-7,13H,8-9H2,1-2H3
InChIKey TZSDDHFBTFOYKU-UHFFFAOYSA-N
Mol Weight 264.34 g/mol
Molecular Formula C13H16N2O2S
Exact Mass 264.093249 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2myr4ZSpwv2
Name Levamisole-A (H2O,Benzoyl) AC
Classification Pharmaceutical drug metabolite, artifact derivative
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 264.093248935 u
Formula C13H16N2O2S
InChI InChI=1S/C13H16N2O2S/c1-10(16)15(13-14(2)8-9-18-13)12(17)11-6-4-3-5-7-11/h3-7,13H,8-9H2,1-2H3
InChIKey TZSDDHFBTFOYKU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 264.343 g/mol
Nominal Mass 264 u
Quality 896
Retention Index 2351
SMILES C1(N(C(C=2C=CC=CC2)=O)C(=O)C)N(CCS1)C
SPLASH splash10-0a4i-1910000000-704ed1d04f2adcc853e1
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-acetyl-N-(3-methyl-1,3-thiazolidin-2-yl)benzamide
Technique GC/MS
Wiley ID DD2024_009229
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