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1-[4-[5-(4-chloranyl-2-nitro-phenyl)furan-2-yl]carbothioylpiperazin-1-yl]ethanone
SpectraBase Compound ID F4kwnph7cbm
InChI InChI=1S/C17H16ClN3O4S/c1-11(22)19-6-8-20(9-7-19)17(26)16-5-4-15(25-16)13-3-2-12(18)10-14(13)21(23)24/h2-5,10H,6-9H2,1H3
InChIKey XBEWIFVIPGJNJM-UHFFFAOYSA-N
Mol Weight 393.85 g/mol
Molecular Formula C17H16ClN3O4S
Exact Mass 393.055005 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CrE27qyn2Kt
Name 1-[4-[5-(4-chloranyl-2-nitro-phenyl)furan-2-yl]carbothioylpiperazin-1-yl]ethanone
Alternate Name(s) 1-[4-[5-(4-chloro-2-nitro-phenyl)furan-2-carbothioyl]piperazin-1-yl]ethanone 1-[4-[5-(4-chloro-2-nitro-phenyl)furan-2-carbothioyl]piperazino]ethanone 1-[4-[[5-(4-chloro-2-nitrophenyl)-2-furanyl]-sulfanylidenemethyl]-1-piperazinyl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16ClN3O4S
InChI InChI=1S/C17H16ClN3O4S/c1-11(22)19-6-8-20(9-7-19)17(26)16-5-4-15(25-16)13-3-2-12(18)10-14(13)21(23)24/h2-5,10H,6-9H2,1H3
InChIKey XBEWIFVIPGJNJM-UHFFFAOYSA-N
Molecular Weight 393.845 g/mol
SMILES CC(N1CCN(C(c2oc(-c3c(N(=O)=O)cc(cc3)Cl)cc2)=S)CC1)=O
SPLASH splash10-05mo-8941000000-b0bbea6ca9153039556c
Wiley ID 1443897