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(E)-4-Bromo-4-methyl-1-phenylpent-1-en-3-one

View entire compound with spectra: 1 FTIR

(E)-4-Bromo-4-methyl-1-phenylpent-1-en-3-one
SpectraBase Compound ID DK3i3bvO3lH
InChI InChI=1S/C12H13BrO/c1-12(2,13)11(14)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3/b9-8+
InChIKey LYDXYGFVXNGODU-CMDGGOBGSA-N
Mol Weight 253.14 g/mol
Molecular Formula C12H13BrO
Exact Mass 252.014978 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID u2KyRt8vJb
Name (E)-4-Bromo-4-methyl-1-phenylpent-1-en-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.014978038 u
Formula C12H13BrO
InChI InChI=1S/C12H13BrO/c1-12(2,13)11(14)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3/b9-8+
InChIKey LYDXYGFVXNGODU-CMDGGOBGSA-N
Molecular Weight 253.139 g/mol
SMILES C(\C=C\C1=CC=CC=C1)(C(C)(C)Br)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.979298