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N-(tert-Butyl)-2-cyclohexyl-2-(3-oxo-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)acetamide
SpectraBase Compound ID JrL44OVYBgj
InChI InChI=1S/C21H30N2O3/c1-21(2,3)22-20(25)19(15-9-5-4-6-10-15)23-13-16-11-7-8-12-17(16)26-14-18(23)24/h7-8,11-12,15,19H,4-6,9-10,13-14H2,1-3H3,(H,22,25)
InChIKey FRTTUXXBWJTEER-UHFFFAOYSA-N
Mol Weight 358.48 g/mol
Molecular Formula C21H30N2O3
Exact Mass 358.225643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9AkDAcoXLkN
Name N-(tert-Butyl)-2-cyclohexyl-2-(3-oxo-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)acetamide
Appearance White solid
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Formula C21H30N2O3
InChI InChI=1S/C21H30N2O3/c1-21(2,3)22-20(25)19(15-9-5-4-6-10-15)23-13-16-11-7-8-12-17(16)26-14-18(23)24/h7-8,11-12,15,19H,4-6,9-10,13-14H2,1-3H3,(H,22,25)
InChIKey FRTTUXXBWJTEER-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.16
Molecular Weight 358.482 g/mol
Reported Formula C21H30N2O3
SMILES N(C(C(N1Cc2c(cccc2)OCC1=O)C1CCCCC1)=O)C(C)(C)C
SPLASH splash10-0002-1900000000-eac08776ebf7db0af5ee
Source of Spectrum BJO-10-SM5-10a
Thin-Layer Chromatography Rf = 0.32 (PE/AcOEt, 80:20)
Wiley ID 1853893