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3'-Nitro-6'-N-butylacetanilide

View entire compound with spectra: 1 FTIR

3'-Nitro-6'-N-butylacetanilide
SpectraBase Compound ID 3U6BpPkIJvW
InChI InChI=1S/C12H16N2O3/c1-3-4-5-10-6-7-11(14(16)17)8-12(10)13-9(2)15/h6-8H,3-5H2,1-2H3,(H,13,15)
InChIKey JHIYCVJVVZOJOT-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C12H16N2O3
Exact Mass 236.116092 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5r1S4Uc97uq
Name 3'-Nitro-6'-N-butylacetanilide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.116092380 u
Formula C12H16N2O3
InChI InChI=1S/C12H16N2O3/c1-3-4-5-10-6-7-11(14(16)17)8-12(10)13-9(2)15/h6-8H,3-5H2,1-2H3,(H,13,15)
InChIKey JHIYCVJVVZOJOT-UHFFFAOYSA-N
Molecular Weight 236.271 g/mol
SMILES C1=C(C=CC(=C1NC(=O)C)CCCC)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893975