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2-(4-Bromobenzyl)-2-methylcyclopentane-1,3-dione

View entire compound with spectra: 1 MS (GC)

2-(4-Bromobenzyl)-2-methylcyclopentane-1,3-dione
SpectraBase Compound ID 5ud1Vq45Q79
InChI InChI=1S/C13H13BrO2/c1-13(11(15)6-7-12(13)16)8-9-2-4-10(14)5-3-9/h2-5H,6-8H2,1H3
InChIKey GISDWKXCBIZSBA-UHFFFAOYSA-N
Mol Weight 281.15 g/mol
Molecular Formula C13H13BrO2
Exact Mass 280.009893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGaNNa3y0iK
Name 2-(4-Bromobenzyl)-2-methylcyclopentane-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13BrO2
InChI InChI=1S/C13H13BrO2/c1-13(11(15)6-7-12(13)16)8-9-2-4-10(14)5-3-9/h2-5H,6-8H2,1H3
InChIKey GISDWKXCBIZSBA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201700917
Molecular Weight 281.149 g/mol
SMILES CC1(C(=O)CCC1=O)Cc1ccc(Br)cc1
SPLASH splash10-00si-1970000000-2b3f92206dff5541367d
Source of Spectrum ASC-359-SM7-2d'
Wiley ID 1811557