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3-METHYL-OXEPIN-5(2H)-ONE
SpectraBase Compound ID BP4yu1lE2Q0
InChI InChI=1S/C19H18O3/c1-13-9-16(20)19-17(21)10-15(11-18(19)22-12-13)8-7-14-5-3-2-4-6-14/h2-6,9-11,21H,7-8,12H2,1H3
InChIKey XURNHRVBFDWYOX-UHFFFAOYSA-N
Mol Weight 294.35 g/mol
Molecular Formula C19H18O3
Exact Mass 294.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 71UqzBxWFrU
Name 9-Methyl-5-hydroxy-1-(phenethyl)benzo[b]oxepin-7-one
Alternate Name(s) 6-Hydroxy-3-methyl-8-(2-phenylethyl)-2H-1-benzoxepin-5-one 6-Hydroxy-3-methyl-8-phenethylbenzo[b]oxepin-5(2H)-one 3-Methyl-6-oxidanyl-8-(2-phenylethyl)-2H-1-benzoxepin-5-one
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Formula C19H18O3
InChI InChI=1S/C19H18O3/c1-13-9-16(20)19-17(21)10-15(11-18(19)22-12-13)8-7-14-5-3-2-4-6-14/h2-6,9-11,21H,7-8,12H2,1H3
InChIKey XURNHRVBFDWYOX-UHFFFAOYSA-N
Molecular Weight 294.350 g/mol
SMILES Oc1c2C(C=C(C)COc2cc(c1)CCc1ccccc1)=O
SPLASH splash10-0006-3090000000-5b6503db2c52fc1e5d10
Source of Spectrum E1-59-482-1
Wiley ID 1710567