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2-(2-Methylbenzyl)cyclohexane-1,3-dione
SpectraBase Compound ID 64sANzjGW60
InChI InChI=1S/C14H16O2/c1-10-5-2-3-6-11(10)9-12-13(15)7-4-8-14(12)16/h2-3,5-6,12H,4,7-9H2,1H3
InChIKey MBOCWGPFYLGWHX-UHFFFAOYSA-N
Mol Weight 216.28 g/mol
Molecular Formula C14H16O2
Exact Mass 216.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VNoawTMyqJ
Name 2-(2-Methylbenzyl)cyclohexane-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O2
InChI InChI=1S/C14H16O2/c1-10-5-2-3-6-11(10)9-12-13(15)7-4-8-14(12)16/h2-3,5-6,12H,4,7-9H2,1H3
InChIKey MBOCWGPFYLGWHX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/asia.201100171
Molecular Weight 216.280 g/mol
SMILES C1(=O)C(Cc2ccccc2C)C(CCC1)=O
SPLASH splash10-0002-0920000000-50da4b51c90a18cf1a48
Source of Spectrum CAJ-6-1344/SM5-8i
Wiley ID 1773042