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N-(tert-butyl)-4-(p-tolyl)-3H-2-benzoxepin-1-one-3-carboxamide
SpectraBase Compound ID KIUy9HZ2uXD
InChI InChI=1S/C22H23NO3/c1-14-9-11-15(12-10-14)18-13-16-7-5-6-8-17(16)21(25)26-19(18)20(24)23-22(2,3)4/h5-13,19H,1-4H3,(H,23,24)
InChIKey FSPIGLQTHXEYBI-UHFFFAOYSA-N
Mol Weight 349.43 g/mol
Molecular Formula C22H23NO3
Exact Mass 349.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EmWPYdPPguF
Name N-(tert-butyl)-4-(p-tolyl)-3H-2-benzoxepin-1-one-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23NO3
InChI InChI=1S/C22H23NO3/c1-14-9-11-15(12-10-14)18-13-16-7-5-6-8-17(16)21(25)26-19(18)20(24)23-22(2,3)4/h5-13,19H,1-4H3,(H,23,24)
InChIKey FSPIGLQTHXEYBI-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo502275f
Molecular Weight 349.430 g/mol
SMILES N(C(C1OC(c2c(cccc2)C=C1c1ccc(cc1)C)=O)=O)C(C)(C)C
SPLASH splash10-0ab9-0940000000-0f65c04f47dd851d91ec
Source of Spectrum J-80-645-10f
Synonyms N-(tert-butyl)-1-oxo-4-(p-tolyl)-1,3-dihydrobenzo[c]oxepine-3-carboxamide
Wiley ID 1755817