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4'-Bromovalerophenone
SpectraBase Compound ID HkkCCcCXH2l
InChI InChI=1S/C11H13BrO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3
InChIKey STYJKBMRWQQJIS-UHFFFAOYSA-N
Mol Weight 241.13 g/mol
Molecular Formula C11H13BrO
Exact Mass 240.014978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kjcjBF5tzS
Name 1-(4-Bromophenyl)pentan-1-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.014978038 u
Formula C11H13BrO
InChI InChI=1S/C11H13BrO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3
InChIKey STYJKBMRWQQJIS-UHFFFAOYSA-N
Instrument Name Shimadzu QP 1000
Ionization Type EI
Literature Reference DOI 10.1002/chem.202004840
Molecular Weight 241.128 g/mol
Quality 293
SMILES C=1C(=CC=C(C(=O)CCCC)C1)Br
SPLASH splash10-0kas-0910000000-3785af082b7f4dc9fb9f
Source of Spectrum QE-27-SM34-2n (DOI: 10.1002/chem.202004840)
Thin-Layer Chromatography 0.44 (petroleum ether/DCM, 9:1)
Wiley ID 1902312