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Levamisole-A (H2O,benzoyl) ac

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HvEEyvJPt8R
Name Levamisole-A (H2O,benzoyl) ac
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. 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
Molecular Weight 264.343 g/mol
SMILES C1(N(C(C=2C=CC=CC2)=O)C(=O)C)N(CCS1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.828554