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4'-[(2-hydroxyethyl)thio]-3'-nitroacetophenone

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

4'-[(2-hydroxyethyl)thio]-3'-nitroacetophenone
SpectraBase Compound ID 94NhhOkcddN
InChI InChI=1S/C10H11NO4S/c1-7(13)8-2-3-10(16-5-4-12)9(6-8)11(14)15/h2-3,6,12H,4-5H2,1H3
InChIKey WRJDWCSECWKCSW-UHFFFAOYSA-N
Mol Weight 241.26 g/mol
Molecular Formula C10H11NO4S
Exact Mass 241.040879 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 5tnehSoFDeX
Name 4'-[(2-hydroxyethyl)thio]-3'-nitroacetophenone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 241.040879008 u
Formula C10H11NO4S
InChI InChI=1S/C10H11NO4S/c1-7(13)8-2-3-10(16-5-4-12)9(6-8)11(14)15/h2-3,6,12H,4-5H2,1H3
InChIKey WRJDWCSECWKCSW-UHFFFAOYSA-N
Molecular Weight 241.261 g/mol
SMILES N(=O)(=O)C=1C(SCCO)=CC=C(C1)C(C)=O
Spectrum/Structure Validation Score (Raman) 0.886174