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4'-Butyryl-2'-nitroacetanilide

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

4'-Butyryl-2'-nitroacetanilide
SpectraBase Compound ID I5CtS3DsbbB
InChI InChI=1S/C12H14N2O4/c1-3-4-12(16)9-5-6-10(13-8(2)15)11(7-9)14(17)18/h5-7H,3-4H2,1-2H3,(H,13,15)
InChIKey OGYOOSUDHFOYEG-UHFFFAOYSA-N
Mol Weight 250.25 g/mol
Molecular Formula C12H14N2O4
Exact Mass 250.095357 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID EBsLgfgdmeW
Name 4'-Butyryl-2'-nitroacetanilide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.095356935 u
Formula C12H14N2O4
InChI InChI=1S/C12H14N2O4/c1-3-4-12(16)9-5-6-10(13-8(2)15)11(7-9)14(17)18/h5-7H,3-4H2,1-2H3,(H,13,15)
InChIKey OGYOOSUDHFOYEG-UHFFFAOYSA-N
Molecular Weight 250.254 g/mol
SMILES N(=O)(=O)C=1C(=CC=C(C1)C(CCC)=O)NC(C)=O
Spectrum/Structure Validation Score (Raman) 0.8251