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Pyrrolidin-1-yl(5-(p-tolyl)benzo[b]oxepin-2-yl)methanone

View entire compound with spectra: 1 MS (GC)

Pyrrolidin-1-yl(5-(p-tolyl)benzo[b]oxepin-2-yl)methanone
SpectraBase Compound ID DsfW6k53RyI
InChI InChI=1S/C22H21NO2/c1-16-8-10-17(11-9-16)18-12-13-21(22(24)23-14-4-5-15-23)25-20-7-3-2-6-19(18)20/h2-3,6-13H,4-5,14-15H2,1H3
InChIKey GDDVWNMGEMLGKC-UHFFFAOYSA-N
Mol Weight 331.42 g/mol
Molecular Formula C22H21NO2
Exact Mass 331.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID gYc5CBbrMh
Name Pyrrolidin-1-yl(5-(p-tolyl)benzo[b]oxepin-2-yl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO2
InChI InChI=1S/C22H21NO2/c1-16-8-10-17(11-9-16)18-12-13-21(22(24)23-14-4-5-15-23)25-20-7-3-2-6-19(18)20/h2-3,6-13H,4-5,14-15H2,1H3
InChIKey GDDVWNMGEMLGKC-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.joc.5b02413
Molecular Weight 331.415 g/mol
SMILES C(=O)(C1=CC=C(c2c(O1)cccc2)c1ccc(cc1)C)N1CCCC1
SPLASH splash10-0002-2931000000-e42b40c67be26884f710
Source of Spectrum J-81-2133-8o
Wiley ID 1804365