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4'-Ethyl-2,2',6'-tribromoacetanilide

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

4'-Ethyl-2,2',6'-tribromoacetanilide
SpectraBase Compound ID 4atgtnhCZjW
InChI InChI=1S/C10H10Br3NO/c1-2-6-3-7(12)10(8(13)4-6)14-9(15)5-11/h3-4H,2,5H2,1H3,(H,14,15)
InChIKey UVQIKWMZIXXCOR-UHFFFAOYSA-N
Mol Weight 399.91 g/mol
Molecular Formula C10H10Br3NO
Exact Mass 396.831253 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 2TXbcf8GgCB
Name 4'-Ethyl-2,2',6'-tribromoacetanilide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.831252945 u
Formula C10H10Br3NO
InChI InChI=1S/C10H10Br3NO/c1-2-6-3-7(12)10(8(13)4-6)14-9(15)5-11/h3-4H,2,5H2,1H3,(H,14,15)
InChIKey UVQIKWMZIXXCOR-UHFFFAOYSA-N
Molecular Weight 399.908 g/mol
SMILES N(C1=C(C=C(C=C1Br)CC)Br)C(CBr)=O
Spectrum/Structure Validation Score (Raman) 0.866963