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7'-HYDROXY-3-METHYL-OXEPIN-5(2H)-ONE
SpectraBase Compound ID HzLk7wksc2r
InChI InChI=1S/C19H18O4/c1-12-7-16(21)19-17(22)9-13(10-18(19)23-11-12)8-15(20)14-5-3-2-4-6-14/h2-7,9-10,15,20,22H,8,11H2,1H3
InChIKey HIISQYWNAQSVRW-UHFFFAOYSA-N
Mol Weight 310.35 g/mol
Molecular Formula C19H18O4
Exact Mass 310.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MisjnEM8NB
Name 9-Methyl-5-hydroxy-1-(1-hydroxyphenethyl)benzo[b]oxepin-7-one
Alternate Name(s) 6-Hydroxy-8-(2-hydroxy-2-phenylethyl)-3-methyl-2H-1-benzoxepin-5-one 6-Hydroxy-8-(2-hydroxy-2-phenylethyl)-3-methylbenzo[b]oxepin-5(2H)-one 3-Methyl-6-oxidanyl-8-(2-oxidanyl-2-phenyl-ethyl)-2H-1-benzoxepin-5-one
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Formula C19H18O4
InChI InChI=1S/C19H18O4/c1-12-7-16(21)19-17(22)9-13(10-18(19)23-11-12)8-15(20)14-5-3-2-4-6-14/h2-7,9-10,15,20,22H,8,11H2,1H3
InChIKey HIISQYWNAQSVRW-UHFFFAOYSA-N
Molecular Weight 310.349 g/mol
SMILES Oc1cc(CC(c2ccccc2)O)cc2OCC(=CC(c12)=O)C
SPLASH splash10-0udi-2191000000-a0795e58aa947676d513
Source of Spectrum E1-59-482-2
Wiley ID 1662052