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4'-Bromo-2',6'-butyroxylidide
SpectraBase Compound ID 1xGq6wD2KqU
InChI InChI=1S/C12H16BrNO/c1-4-5-11(15)14-12-8(2)6-10(13)7-9(12)3/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKey WTVFJMRDZFMORV-UHFFFAOYSA-N
Mol Weight 270.17 g/mol
Molecular Formula C12H16BrNO
Exact Mass 269.041527 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 6gTR3rdDJC9
Name 4'-Bromo-2',6'-butyroxylidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.041527138 u
Formula C12H16BrNO
InChI InChI=1S/C12H16BrNO/c1-4-5-11(15)14-12-8(2)6-10(13)7-9(12)3/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKey WTVFJMRDZFMORV-UHFFFAOYSA-N
Molecular Weight 270.170 g/mol
SMILES N(C1=C(C=C(C=C1C)Br)C)C(CCC)=O
Spectrum/Structure Validation Score (Raman) 0.981114