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2-Trifluoroacetylamino-4-oxo-4-phenylbutanoylazepanine
SpectraBase Compound ID JHDpRkbcG1M
InChI InChI=1S/C18H21F3N2O3/c19-18(20,21)17(26)22-14(12-15(24)13-8-4-3-5-9-13)16(25)23-10-6-1-2-7-11-23/h3-5,8-9,14H,1-2,6-7,10-12H2,(H,22,26)
InChIKey DPLHTMRTCVDURB-UHFFFAOYSA-N
Mol Weight 370.37 g/mol
Molecular Formula C18H21F3N2O3
Exact Mass 370.150427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ak84ZGYNs5
Name 2-Trifluoroacetylamino-4-oxo-4-phenylbutanoylazepanine
CAS Registry Number 221122-68-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21F3N2O3
InChI InChI=1S/C18H21F3N2O3/c19-18(20,21)17(26)22-14(12-15(24)13-8-4-3-5-9-13)16(25)23-10-6-1-2-7-11-23/h3-5,8-9,14H,1-2,6-7,10-12H2,(H,22,26)
InChIKey DPLHTMRTCVDURB-UHFFFAOYSA-N
Molecular Weight 370.372 g/mol
SMILES N(C(C(N1CCCCCC1)=O)CC(=O)c1ccccc1)C(C(F)(F)F)=O
SPLASH splash10-056r-9810000000-13ad7ccb3b1b62cf01a7
Source of Spectrum QC-9-4465-3
Synonyms N-[1-(1-azepanyl)-1,4-dioxo-4-phenylbutan-2-yl]-2,2,2-trifluoroacetamide N-[1-(azepan-1-yl)-1,4-dioxo-4-phenylbutan-2-yl]-2,2,2-trifluoroacetamide N-[1-(azepane-1-carbonyl)-3-oxo-3-phenyl-propyl]-2,2,2-trifluoro-acetamide N-[1-(azepan-1-yl)-1,4-bis(oxidanylidene)-4-phenyl-butan-2-yl]-2,2,2-tris(fluoranyl)ethanamide
Wiley ID 870957