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N-(8,9bbeta-dimethyl-1,2,3,4,4abeta,9b-hexahydro-3-oxo-4a-dibenzofuranyl)-4-methyl-1-piperazineacetamide, dihydrochloride, monohydrate

View entire compound with spectra: 1 NMR, and 1 FTIR

N-(8,9bbeta-dimethyl-1,2,3,4,4abeta,9b-hexahydro-3-oxo-4a-dibenzofuranyl)-4-methyl-1-piperazineacetamide, dihydrochloride, monohydrate
SpectraBase Compound ID KohPYtCQqOh
InChI InChI=1S/C21H29N3O3.2ClH.H2O/c1-14-4-5-17-15(12-14)21(2)7-6-16(25)19(20(21)27-17)22-18(26)13-24-10-8-23(3)9-11-24;;;/h4-5,12,19-20H,6-11,13H2,1-3H3,(H,22,26);2*1H;1H2/t19-,20-,21-;;;/s2
InChIKey IMXXOZICGWYQES-VGSQDLMDSA-N
Mol Weight 462.418 g/mol
Molecular Formula C21H33Cl2N3O4
Exact Mass 461.184812 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HZ154SsRYi9
Name N-(8,9bbeta-dimethyl-1,2,3,4,4abeta,9b-hexahydro-3-oxo-4a-dibenzofuranyl)-4-methyl-1-piperazineacetamide, dihydrochloride, monohydrate
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Formula C21H33Cl2N3O4
InChI InChI=1S/C21H29N3O3.2ClH.H2O/c1-14-4-5-17-15(12-14)21(2)7-6-16(25)19(20(21)27-17)22-18(26)13-24-10-8-23(3)9-11-24;;;/h4-5,12,19-20H,6-11,13H2,1-3H3,(H,22,26);2*1H;1H2/t19-,20-,21-;;;/s2
InChIKey IMXXOZICGWYQES-VGSQDLMDSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 28467M
Solvent Polysol