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7-(.alpha.-Oxybenzyl)isophorone
SpectraBase Compound ID 9uUDTbL7x6S
InChI InChI=1S/C16H20O2/c1-16(2)10-12(8-14(17)11-16)9-15(18)13-6-4-3-5-7-13/h3-8,15,18H,9-11H2,1-2H3
InChIKey PYADVWDMZFCJOS-UHFFFAOYSA-N
Mol Weight 244.33 g/mol
Molecular Formula C16H20O2
Exact Mass 244.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlZ0u1lpToe
Name 7-(.alpha.-Oxybenzyl)isophorone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O2
InChI InChI=1S/C16H20O2/c1-16(2)10-12(8-14(17)11-16)9-15(18)13-6-4-3-5-7-13/h3-8,15,18H,9-11H2,1-2H3
InChIKey PYADVWDMZFCJOS-UHFFFAOYSA-N
Molecular Weight 244.334 g/mol
SMILES OC(CC1=CC(=O)CC(C1)(C)C)c1ccccc1
SPLASH splash10-0a70-4900000000-c977121544ed8b1b1caf
Source of Spectrum F-50-11505-8
Synonyms 3-(2-hydroxy-2-phenylethyl)-5,5-dimethyl-2-cyclohexen-1-one
Wiley ID 789451