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2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl 3,4-dimethoxybenzoate
SpectraBase Compound ID H7aGOnu2euD
InChI InChI=1S/C21H23ClF3N3O4/c1-30-17-4-3-14(11-18(17)31-2)20(29)32-10-9-27-5-7-28(8-6-27)19-16(22)12-15(13-26-19)21(23,24)25/h3-4,11-13H,5-10H2,1-2H3
InChIKey MBTHHQXINZBKQQ-UHFFFAOYSA-N
Mol Weight 473.88 g/mol
Molecular Formula C21H23ClF3N3O4
Exact Mass 473.132918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DuPF4Wz5kAr
Name 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl 3,4-dimethoxybenzoate
Alternate Name(s) 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]ethyl 3,4-dimethoxybenzoate 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl 3,4-dimethoxybenzoate 3,4-Dimethoxybenzoic acid 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]ethyl ester 3,4-Dimethoxybenzoic acid 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]ethyl ester
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Formula C21H23ClF3N3O4
InChI InChI=1S/C21H23ClF3N3O4/c1-30-17-4-3-14(11-18(17)31-2)20(29)32-10-9-27-5-7-28(8-6-27)19-16(22)12-15(13-26-19)21(23,24)25/h3-4,11-13H,5-10H2,1-2H3
InChIKey MBTHHQXINZBKQQ-UHFFFAOYSA-N
Molecular Weight 473.880 g/mol
SMILES c1(cc(c(OC)cc1)OC)C(OCCN1CCN(CC1)c1c(cc(C(F)(F)F)cn1)Cl)=O
SPLASH splash10-069v-9670000000-5fc9d808f3c991c5efc8
Wiley ID 1512278