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

View entire compound with spectra: 1 MS (GC)

3-(1-(2-methylbenzyl)-2,6-dioxocyclohexyl)propanal
SpectraBase Compound ID Cqm7HJ5CKP9
InChI InChI=1S/C17H20O3/c1-13-6-2-3-7-14(13)12-17(10-5-11-18)15(19)8-4-9-16(17)20/h2-3,6-7,11H,4-5,8-10,12H2,1H3
InChIKey AZDWDPRTIDTFRX-UHFFFAOYSA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AhZBEo9s5qk
Name 3-(1-(2-methylbenzyl)-2,6-dioxocyclohexyl)propanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-13-6-2-3-7-14(13)12-17(10-5-11-18)15(19)8-4-9-16(17)20/h2-3,6-7,11H,4-5,8-10,12H2,1H3
InChIKey AZDWDPRTIDTFRX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/asia.201100171
Molecular Weight 272.344 g/mol
SMILES C1(=O)CCCC(C1(CCC=O)Cc1ccccc1C)=O
SPLASH splash10-0a4i-1910000000-98f78164368fb6a01d79
Source of Spectrum CAJ-6-1344/SM8-9i
Wiley ID 1773048