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1,4(1,4)-Dibenzenacycloheptaphan-2-one
SpectraBase Compound ID JLyrXKvjX7G
InChI InChI=1S/C17H16O/c18-17-12-15-6-4-13(5-7-15)2-1-3-14-8-10-16(17)11-9-14/h4-11H,1-3,12H2
InChIKey LKWTVTLZCIXMQL-UHFFFAOYSA-N
Mol Weight 236.31 g/mol
Molecular Formula C17H16O
Exact Mass 236.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DfID1U3UhOM
Name 1,4(1,4)-Dibenzenacycloheptaphan-2-one
Appearance White solid
Carrier Gas Helium (1.5 ml/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.120115134 u
Formula C17H16O
GC Column BPX5 (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C17H16O/c18-17-12-15-6-4-13(5-7-15)2-1-3-14-8-10-16(17)11-9-14/h4-11H,1-3,12H2
InChIKey LKWTVTLZCIXMQL-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 236.314 g/mol
Quality 921
Reported Formula C17H16O
SMILES C1=C2C=CC(=C1)CC(C1=CC=C(C=C1)CCC2)=O
SPLASH splash10-0fbi-3940000000-487992161ec3fff4f0a4
Source of Spectrum QE-28-SM34-7l (DOI: 10.1002/chem.202202577)
Wiley ID 1904355