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N-(2,6-Dimethylphenyl)-2-isobutil-2-(3-oxo-7-phenyl-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)acetamide
SpectraBase Compound ID CQt89j9AqOl
InChI InChI=1S/C29H32N2O3/c1-19(2)15-25(29(33)30-28-20(3)9-8-10-21(28)4)31-17-24-16-23(22-11-6-5-7-12-22)13-14-26(24)34-18-27(31)32/h5-14,16,19,25H,15,17-18H2,1-4H3,(H,30,33)
InChIKey XUBSVEXYMVXPOZ-UHFFFAOYSA-N
Mol Weight 456.6 g/mol
Molecular Formula C29H32N2O3
Exact Mass 456.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8uRrAMgPiq5
Name N-(2,6-Dimethylphenyl)-2-isobutil-2-(3-oxo-7-phenyl-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)acetamide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H32N2O3
InChI InChI=1S/C29H32N2O3/c1-19(2)15-25(29(33)30-28-20(3)9-8-10-21(28)4)31-17-24-16-23(22-11-6-5-7-12-22)13-14-26(24)34-18-27(31)32/h5-14,16,19,25H,15,17-18H2,1-4H3,(H,30,33)
InChIKey XUBSVEXYMVXPOZ-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.16
Molecular Weight 456.586 g/mol
Reported Formula C29H32N2O3
SMILES N(C(C(N1Cc2c(ccc(c2)-c2ccccc2)OCC1=O)CC(C)C)=O)c1c(cccc1C)C
SPLASH splash10-0006-9010000000-bdf8e4309c1e6ae238ed
Source of Spectrum BJO-10-SM11-10l
Thin-Layer Chromatography Rf = 0.41 (PE/AcOEt, 75:25)
Wiley ID 1853902