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6-Methyl-8-oxa-tricyclo[9.2.2.2(4,7)]heptadeca-1(14),4(17),5,7(16),11(15),12-hexaen-3-one
SpectraBase Compound ID 7gvI4hn2ZbF
InChI InChI=1S/C17H16O2/c1-12-10-15-6-7-17(12)19-9-8-13-2-4-14(5-3-13)11-16(15)18/h2-7,10H,8-9,11H2,1H3
InChIKey JDCXFOZUMQKFKB-UHFFFAOYSA-N
Mol Weight 252.31 g/mol
Molecular Formula C17H16O2
Exact Mass 252.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B290aIxkBSC
Name 6-Methyl-8-oxa-tricyclo[9.2.2.2(4,7)]heptadeca-1(14),4(17),5,7(16),11(15),12-hexaen-3-one
Appearance White solid
Carrier Gas Helium (1.5 ml/min)
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Exact Mass 252.115029753 u
Formula C17H16O2
GC Column BPX5 (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C17H16O2/c1-12-10-15-6-7-17(12)19-9-8-13-2-4-14(5-3-13)11-16(15)18/h2-7,10H,8-9,11H2,1H3
InChIKey JDCXFOZUMQKFKB-UHFFFAOYSA-N
Inlet Type Split (1:10)
Instrument Name Thermo Fisher Scientific Trace 1310 GC-TSQ 9000 triple quad MS
Ionization Type EI
Literature Reference DOI 10.1002/chem.202202577
Molecular Weight 252.313 g/mol
Quality 585
Reported Formula C17H16O2
SMILES C1=C2C=CC(=C1)CC(C1=CC=C(C(=C1)C)OCC2)=O
SPLASH splash10-014i-2920000000-2cacc361176ac24e606c
Source of Spectrum QE-28-SM34-7q (DOI: 10.1002/chem.202202577)
Wiley ID 1904356