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5a,6-Dihydro-12H-chromeno[2,3-c][1]benzoxepin-12-one
SpectraBase Compound ID CaJ41goQz0Y
InChI InChI=1S/C17H12O3/c18-17-12-6-2-4-8-15(12)19-10-16-13(17)9-11-5-1-3-7-14(11)20-16/h1-9,16H,10H2
InChIKey VQUDQWMOXMVODJ-UHFFFAOYSA-N
Mol Weight 264.28 g/mol
Molecular Formula C17H12O3
Exact Mass 264.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfdKnjgdEs9
Name 5a,6-Dihydro-12H-chromeno[2,3-c][1]benzoxepin-12-one
Appearance Yellow liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12O3
InChI InChI=1S/C17H12O3/c18-17-12-6-2-4-8-15(12)19-10-16-13(17)9-11-5-1-3-7-14(11)20-16/h1-9,16H,10H2
InChIKey VQUDQWMOXMVODJ-UHFFFAOYSA-N
Instrument Name Hewlett Packard series II
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0014.303
Molecular Weight 264.280 g/mol
Reported Formula C17H12O3
SMILES c12c(cccc2)OC2COc3c(C(C2=C1)=O)cccc3
SPLASH splash10-01ox-0930000000-270b62b7c661443a0c1a
Source of Spectrum ARK-2013-33-3a
Thin-Layer Chromatography Rf = 0.54 (ethyl acetate/n-hexane, 1:6)
Wiley ID 1853433