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8-Oxa-tricyclo[10.2.2.2(4,7)]octadeca-1(15),4(18),5,7(17),12(16),13-hexaen-3-one
SpectraBase Compound ID 31d53vfdvzx
InChI InChI=1S/C17H16O2/c18-17-12-14-5-3-13(4-6-14)2-1-11-19-16-9-7-15(17)8-10-16/h3-10H,1-2,11-12H2
InChIKey LUAQSZPHHNGIDT-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 HqB7xG8l678
Name 8-Oxa-tricyclo[10.2.2.2(4,7)]octadeca-1(15),4(18),5,7(17),12(16),13-hexaen-3-one
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/c18-17-12-14-5-3-13(4-6-14)2-1-11-19-16-9-7-15(17)8-10-16/h3-10H,1-2,11-12H2
InChIKey LUAQSZPHHNGIDT-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 859
Reported Formula C17H16O2
SMILES C1=C2C=CC(=C1)CC(C1=CC=C(C=C1)OCCC2)=O
SPLASH splash10-0udi-2920000000-c18e93de6c1c9daba936
Source of Spectrum QE-28-SM33-7i (DOI: 10.1002/chem.202202577)
Wiley ID 1904354