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Phenyl (5,5-Dimethyl-3-oxo-1-cyclohexen-1-ylacetate
SpectraBase Compound ID 6mgCUHGCwD3
InChI InChI=1S/C16H18O3/c1-16(2)10-13(17)9-14(11-16)19-15(18)8-12-6-4-3-5-7-12/h3-7,9H,8,10-11H2,1-2H3
InChIKey MSSIBBPHNXSYTM-UHFFFAOYSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4d2uDaDABt
Name Phenyl (5,5-Dimethyl-3-oxo-1-cyclohexen-1-ylacetate
CAS Registry Number 126256-28-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-16(2)10-13(17)9-14(11-16)19-15(18)8-12-6-4-3-5-7-12/h3-7,9H,8,10-11H2,1-2H3
InChIKey MSSIBBPHNXSYTM-UHFFFAOYSA-N
Molecular Weight 258.317 g/mol
SMILES C1(=CC(=O)CC(C1)(C)C)OC(=O)Cc1ccccc1
SPLASH splash10-014i-3900000000-c049572a2ec513ecccea
Source of Spectrum K-123-1573-3
Synonyms 5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl phenylacetate
Wiley ID 1262051