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1H-azepine, 1-[2-fluoro-4-nitro-5-[4-(1-oxopropyl)-1-piperazinyl]phenyl]hexahydro-
SpectraBase Compound ID F8gva6AsDas
InChI InChI=1S/C19H27FN4O3/c1-2-19(25)23-11-9-22(10-12-23)17-14-16(15(20)13-18(17)24(26)27)21-7-5-3-4-6-8-21/h13-14H,2-12H2,1H3
InChIKey XKULUZRVUPFECN-UHFFFAOYSA-N
Mol Weight 378.45 g/mol
Molecular Formula C19H27FN4O3
Exact Mass 378.206719 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2OoaJMDgy3
Name 1-[4-[5-(1-azepanyl)-4-fluoro-2-nitrophenyl]-1-piperazinyl]-1-propanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27FN4O3
InChI InChI=1S/C19H27FN4O3/c1-2-19(25)23-11-9-22(10-12-23)17-14-16(15(20)13-18(17)24(26)27)21-7-5-3-4-6-8-21/h13-14H,2-12H2,1H3
InChIKey XKULUZRVUPFECN-UHFFFAOYSA-N
Molecular Weight 378.448 g/mol
SMILES c1(N(=O)=O)c(cc(c(c1)F)N1CCCCCC1)N1CCN(CC1)C(=O)CC
SPLASH splash10-0a4i-9641000000-84d12a21b2d59c20ec8f
Synonyms 1-[4-[5-(azepan-1-yl)-4-fluoranyl-2-nitro-phenyl]piperazin-1-yl]propan-1-one 1-[4-[5-(azepan-1-yl)-4-fluoro-2-nitro-phenyl]piperazin-1-yl]propan-1-one 1-[4-[5-(azepan-1-yl)-4-fluoro-2-nitro-phenyl]piperazino]propan-1-one
Wiley ID 1452059