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(4-(3-Chlorobenzyl)piperazin-1-yl)(pyridin-3-yl)methanone oxalate

View entire compound with spectra: 2 NMR

(4-(3-Chlorobenzyl)piperazin-1-yl)(pyridin-3-yl)methanone oxalate
SpectraBase Compound ID HRpv0Jh9dkn
InChI InChI=1S/C17H18ClN3O.C2H2O4/c18-16-5-1-3-14(11-16)13-20-7-9-21(10-8-20)17(22)15-4-2-6-19-12-15;3-1(4)2(5)6/h1-6,11-12H,7-10,13H2;(H,3,4)(H,5,6)
InChIKey OQOTVXQZHQJNLE-UHFFFAOYSA-N
Mol Weight 405.84 g/mol
Molecular Formula C19H20ClN3O5
Exact Mass 405.109148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HKBQ3N3MNDG
Name (4-(3-Chlorobenzyl)piperazin-1-yl)(pyridin-3-yl)methanone oxalate
Comments Computed using HOSE algorithm
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Exact Mass 405.109148451 u
Formula C19H20ClN3O5
InChI InChI=1S/C17H18ClN3O.C2H2O4/c18-16-5-1-3-14(11-16)13-20-7-9-21(10-8-20)17(22)15-4-2-6-19-12-15;3-1(4)2(5)6/h1-6,11-12H,7-10,13H2;(H,3,4)(H,5,6)
InChIKey OQOTVXQZHQJNLE-UHFFFAOYSA-N
Molecular Weight 405.838 g/mol
SMILES OC(C(O)=O)=O.C(N1CCN(CC1)CC=1C=C(Cl)C=CC1)(C=1C=NC=CC1)=O