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(2-fluorophenyl)-[4-[3-(homoveratrylamino)-4-nitro-phenyl]piperazino]methanone
SpectraBase Compound ID DxbX5408AZS
InChI InChI=1S/C27H29FN4O5/c1-36-25-10-7-19(17-26(25)37-2)11-12-29-23-18-20(8-9-24(23)32(34)35)30-13-15-31(16-14-30)27(33)21-5-3-4-6-22(21)28/h3-10,17-18,29H,11-16H2,1-2H3
InChIKey FXPLKDJYULQDEO-UHFFFAOYSA-N
Mol Weight 508.55 g/mol
Molecular Formula C27H29FN4O5
Exact Mass 508.212198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BOsiafH29E5
Name (2-fluorophenyl)-[4-[3-(homoveratrylamino)-4-nitro-phenyl]piperazino]methanone
Alternate Name(s) N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(2-fluorobenzoyl)-1-piperazinyl]-2-nitroaniline [4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitrophenyl]-1-piperazinyl]-(2-fluorophenyl)methanone [4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-(2-fluorophenyl)methanone
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Formula C27H29FN4O5
InChI InChI=1S/C27H29FN4O5/c1-36-25-10-7-19(17-26(25)37-2)11-12-29-23-18-20(8-9-24(23)32(34)35)30-13-15-31(16-14-30)27(33)21-5-3-4-6-22(21)28/h3-10,17-18,29H,11-16H2,1-2H3
InChIKey FXPLKDJYULQDEO-UHFFFAOYSA-N
Molecular Weight 508.550 g/mol
SMILES N(c1c(N(=O)=O)ccc(N2CCN(C(c3c(F)cccc3)=O)CC2)c1)CCc1cc(OC)c(cc1)OC
SPLASH splash10-0kmi-2901000000-8481e7e305e783871116
Wiley ID 1436817