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Thiocyanic acid, 4-acetamido-3-nitrophenyl ester

View entire compound with spectra: 2 NMR, 1 Raman, and 1 UV-Vis

Thiocyanic acid, 4-acetamido-3-nitrophenyl ester
SpectraBase Compound ID AVCK88zFlV0
InChI InChI=1S/C9H7N3O3S/c1-6(13)11-8-3-2-7(16-5-10)4-9(8)12(14)15/h2-4H,1H3,(H,11,13)
InChIKey RLPLNYIDEVVEBK-UHFFFAOYSA-N
Mol Weight 237.23 g/mol
Molecular Formula C9H7N3O3S
Exact Mass 237.020812 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID HZlZcoY8FXf
Name Thiocyanic acid, 4-acetamido-3-nitrophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 237.020812268 u
Formula C9H7N3O3S
InChI InChI=1S/C9H7N3O3S/c1-6(13)11-8-3-2-7(16-5-10)4-9(8)12(14)15/h2-4H,1H3,(H,11,13)
InChIKey RLPLNYIDEVVEBK-UHFFFAOYSA-N
Molecular Weight 237.233 g/mol
SMILES N(=O)(=O)C1=CC(=CC=C1NC(C)=O)SC#N
Spectrum/Structure Validation Score (Raman) 0.929154