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3-Methyl-5-(4-methylbenzyl)benzo[e][1,3]oxazepin-1(5H)-one
SpectraBase Compound ID 3dVVrVHqAZ0
InChI InChI=1S/C18H17NO2/c1-12-7-9-14(10-8-12)11-17-15-5-3-4-6-16(15)18(20)21-13(2)19-17/h3-10,17H,11H2,1-2H3
InChIKey JDQLVRVFYQCLQL-UHFFFAOYSA-N
Mol Weight 279.34 g/mol
Molecular Formula C18H17NO2
Exact Mass 279.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EM7ON4w0aqQ
Name 3-Methyl-5-(4-methylbenzyl)benzo[e][1,3]oxazepin-1(5H)-one
Appearance White solid
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Formula C18H17NO2
InChI InChI=1S/C18H17NO2/c1-12-7-9-14(10-8-12)11-17-15-5-3-4-6-16(15)18(20)21-13(2)19-17/h3-10,17H,11H2,1-2H3
InChIKey JDQLVRVFYQCLQL-UHFFFAOYSA-N
Instrument Name Hewlett Packard 5890 Series II-5971A
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.13.143
Molecular Weight 279.339 g/mol
SMILES CC=1OC(c2c(C(N1)Cc1ccc(cc1)C)cccc2)=O
SPLASH splash10-001i-1900000000-ca82bad9ac67029a6605
Source of Spectrum BJO-13-SM14-14b
Thin-Layer Chromatography Rf = 0.52 (PE:EtOAc, 4:1)
Wiley ID 1848194