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3',5'-di-Tert-butyl-2',6'-dinitroacetanilide

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

3',5'-di-Tert-butyl-2',6'-dinitroacetanilide
SpectraBase Compound ID 8d2jUIiwylv
InChI InChI=1S/C16H23N3O5/c1-9(20)17-12-13(18(21)22)10(15(2,3)4)8-11(16(5,6)7)14(12)19(23)24/h8H,1-7H3,(H,17,20)
InChIKey FQDLWTJEJFFVQG-UHFFFAOYSA-N
Mol Weight 337.38 g/mol
Molecular Formula C16H23N3O5
Exact Mass 337.163771 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 8jgWBVvT1ny
Name 3',5'-di-Tert-butyl-2',6'-dinitroacetanilide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.163770848 u
Formula C16H23N3O5
InChI InChI=1S/C16H23N3O5/c1-9(20)17-12-13(18(21)22)10(15(2,3)4)8-11(16(5,6)7)14(12)19(23)24/h8H,1-7H3,(H,17,20)
InChIKey FQDLWTJEJFFVQG-UHFFFAOYSA-N
SMILES N(C=1C(=C(C=C(C1N(=O)=O)C(C)(C)C)C(C)(C)C)N(=O)=O)C(C)=O
Spectrum/Structure Validation Score (Raman) 0.945032