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N-(tert-Butyl)-2-cyclohexyl-2-(3-oxo-7-phenyl-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)acetamide
SpectraBase Compound ID HKNn7JJX8PK
InChI InChI=1S/C27H34N2O3/c1-27(2,3)28-26(31)25(20-12-8-5-9-13-20)29-17-22-16-21(19-10-6-4-7-11-19)14-15-23(22)32-18-24(29)30/h4,6-7,10-11,14-16,20,25H,5,8-9,12-13,17-18H2,1-3H3,(H,28,31)
InChIKey RHQZTYXNBDGUHZ-UHFFFAOYSA-N
Mol Weight 434.6 g/mol
Molecular Formula C27H34N2O3
Exact Mass 434.256943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J01mC5TrfPD
Name N-(tert-Butyl)-2-cyclohexyl-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 C27H34N2O3
InChI InChI=1S/C27H34N2O3/c1-27(2,3)28-26(31)25(20-12-8-5-9-13-20)29-17-22-16-21(19-10-6-4-7-11-19)14-15-23(22)32-18-24(29)30/h4,6-7,10-11,14-16,20,25H,5,8-9,12-13,17-18H2,1-3H3,(H,28,31)
InChIKey RHQZTYXNBDGUHZ-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.16
Molecular Weight 434.580 g/mol
Reported Formula C27H34N2O3
SMILES N(C(C(N1Cc2c(ccc(c2)-c2ccccc2)OCC1=O)C1CCCCC1)=O)C(C)(C)C
SPLASH splash10-0006-9000000000-279397cbba57fff3dc95
Source of Spectrum BJO-10-SM11-10k
Thin-Layer Chromatography Rf = 0.61 (PE/AcOEt, 66:34)
Wiley ID 1853901