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1-Methyl-3-oxo-3-(2',6',6'-trimethylcyclohex-2'-en-1'-yl)-propyl Oxophenylacetate
SpectraBase Compound ID K96X79h3zSF
InChI InChI=1S/C21H26O4/c1-14-9-8-12-21(3,4)18(14)17(22)13-15(2)25-20(24)19(23)16-10-6-5-7-11-16/h5-7,9-11,15,18H,8,12-13H2,1-4H3
InChIKey KASVXIJBBQUSOZ-UHFFFAOYSA-N
Mol Weight 342.44 g/mol
Molecular Formula C21H26O4
Exact Mass 342.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KeyXJjPACRQ
Name 1-Methyl-3-oxo-3-(2',6',6'-trimethylcyclohex-2'-en-1'-yl)-propyl Oxophenylacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O4
InChI InChI=1S/C21H26O4/c1-14-9-8-12-21(3,4)18(14)17(22)13-15(2)25-20(24)19(23)16-10-6-5-7-11-16/h5-7,9-11,15,18H,8,12-13H2,1-4H3
InChIKey KASVXIJBBQUSOZ-UHFFFAOYSA-N
Molecular Weight 342.435 g/mol
SMILES C(C(=O)c1ccccc1)(OC(CC(C1C(=CCCC1(C)C)C)=O)C)=O
SPLASH splash10-0avi-4900000000-6cc43d8398afc3955f45
Source of Spectrum C-88-3134-7
Synonyms 1-Methyl-3-oxo-3-(2,6,6-trimethyl-2-cyclohexen-1-yl)propyl oxo(phenyl)acetate
Wiley ID 1590541