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3-(1-(3-bromobenzyl)-2,6-dioxocyclohexyl)propanal

View entire compound with spectra: 1 MS (GC)

3-(1-(3-bromobenzyl)-2,6-dioxocyclohexyl)propanal
SpectraBase Compound ID 6O9iweWquPz
InChI InChI=1S/C16H17BrO3/c17-13-5-1-4-12(10-13)11-16(8-3-9-18)14(19)6-2-7-15(16)20/h1,4-5,9-10H,2-3,6-8,11H2
InChIKey KKYLPGZXEUTTNP-UHFFFAOYSA-N
Mol Weight 337.21 g/mol
Molecular Formula C16H17BrO3
Exact Mass 336.036107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3H7csRCCoa
Name 3-(1-(3-bromobenzyl)-2,6-dioxocyclohexyl)propanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17BrO3
InChI InChI=1S/C16H17BrO3/c17-13-5-1-4-12(10-13)11-16(8-3-9-18)14(19)6-2-7-15(16)20/h1,4-5,9-10H,2-3,6-8,11H2
InChIKey KKYLPGZXEUTTNP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/asia.201100171
Molecular Weight 337.213 g/mol
SMILES C1(=O)CCCC(C1(CCC=O)Cc1cccc(c1)Br)=O
SPLASH splash10-014i-0926000000-1682ec10a777a355f19f
Source of Spectrum CAJ-6-1344/SM7-9f
Wiley ID 1773047