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3-Methyl-5-(4-methoxybenzyl)benzo[e][1,3]oxazepin-1(5H)-one
SpectraBase Compound ID JlMHGgL9cFA
InChI InChI=1S/C18H17NO3/c1-12-19-17(11-13-7-9-14(21-2)10-8-13)15-5-3-4-6-16(15)18(20)22-12/h3-10,17H,11H2,1-2H3
InChIKey UHONNZHWHZICQZ-UHFFFAOYSA-N
Mol Weight 295.34 g/mol
Molecular Formula C18H17NO3
Exact Mass 295.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4S9209TL0F3
Name 3-Methyl-5-(4-methoxybenzyl)benzo[e][1,3]oxazepin-1(5H)-one
Appearance Foam
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Formula C18H17NO3
InChI InChI=1S/C18H17NO3/c1-12-19-17(11-13-7-9-14(21-2)10-8-13)15-5-3-4-6-16(15)18(20)22-12/h3-10,17H,11H2,1-2H3
InChIKey UHONNZHWHZICQZ-UHFFFAOYSA-N
Instrument Name Hewlett Packard 5890 Series II-5971A
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.13.143
Molecular Weight 295.338 g/mol
SMILES CC=1OC(c2c(C(N1)Cc1ccc(cc1)OC)cccc2)=O
SPLASH splash10-00di-2900000000-f34255c78d98501bd9fb
Source of Spectrum BJO-13-SM13-14a
Thin-Layer Chromatography Rf = 0.45 (PE:EtOAc, 4:1)
Wiley ID 1848193