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[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-(2-methoxyphenyl)methanone
SpectraBase Compound ID 5pms3Sz40k6
InChI InChI=1S/C19H17F3N4O6/c1-32-16-5-3-2-4-13(16)18(27)24-8-6-23(7-9-24)17-14(25(28)29)10-12(19(20,21)22)11-15(17)26(30)31/h2-5,10-11H,6-9H2,1H3
InChIKey BEKHWCNNOXEBRO-UHFFFAOYSA-N
Mol Weight 454.36 g/mol
Molecular Formula C19H17F3N4O6
Exact Mass 454.110019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3B20gOnbGc9
Name [4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-(2-methoxyphenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17F3N4O6
InChI InChI=1S/C19H17F3N4O6/c1-32-16-5-3-2-4-13(16)18(27)24-8-6-23(7-9-24)17-14(25(28)29)10-12(19(20,21)22)11-15(17)26(30)31/h2-5,10-11H,6-9H2,1H3
InChIKey BEKHWCNNOXEBRO-UHFFFAOYSA-N
Molecular Weight 454.362 g/mol
SMILES c1c(N(=O)=O)c(N2CCN(CC2)C(=O)c2c(cccc2)OC)c(N(=O)=O)cc1C(F)(F)F
SPLASH splash10-000i-2910000000-7ade1d4766f7bb0b9a31
Synonyms [4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(2-methoxyphenyl)methanone [4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazino]-(2-methoxyphenyl)methanone
Wiley ID 1512559