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5-(1'-phenylethyl)-3,7-dioxatricyclo[4.3.3.0(1,6)]dodecan-4-one
SpectraBase Compound ID AF0f0ROnmZ9
InChI InChI=1S/C18H22O3/c1-13(14-6-3-2-4-7-14)15-16(19)20-12-17-8-5-9-18(15,17)21-11-10-17/h2-4,6-7,13,15H,5,8-12H2,1H3
InChIKey JQUUFKLNMWYKQV-UHFFFAOYSA-N
Mol Weight 286.37 g/mol
Molecular Formula C18H22O3
Exact Mass 286.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Nhms9E3zKi
Name 5-(1'-phenylethyl)-3,7-dioxatricyclo[4.3.3.0(1,6)]dodecan-4-one
Alternate Name(s) 5-(1-phenylethyl)-3,7-dioxatricyclo[4.3.3.0(1,6)]dodecan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O3
InChI InChI=1S/C18H22O3/c1-13(14-6-3-2-4-7-14)15-16(19)20-12-17-8-5-9-18(15,17)21-11-10-17/h2-4,6-7,13,15H,5,8-12H2,1H3
InChIKey JQUUFKLNMWYKQV-UHFFFAOYSA-N
Molecular Weight 286.371 g/mol
SMILES C1(C23C(CCO3)(CCC2)COC1=O)C(c1ccccc1)C
SPLASH splash10-0006-0940000000-585c65b2d36c2e73ad99
Source of Spectrum KC-1991-1554-23
Wiley ID 1290186