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1-(4-Chlorophenyl)-4-[3-(1,2,3,4-tetrahydro-5-methoxy-1-naphthalenyl)propyl]piperazine
SpectraBase Compound ID 5KX7dmtCfBt
InChI InChI=1S/C24H31ClN2O/c1-28-24-9-3-7-22-19(5-2-8-23(22)24)6-4-14-26-15-17-27(18-16-26)21-12-10-20(25)11-13-21/h3,7,9-13,19H,2,4-6,8,14-18H2,1H3
InChIKey TWAJXJHCRRIGAN-UHFFFAOYSA-N
Mol Weight 398.98 g/mol
Molecular Formula C24H31ClN2O
Exact Mass 398.212491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2awe9Agw8hu
Name 1-(4-Chlorophenyl)-4-[3-(1,2,3,4-tetrahydro-5-methoxy-1-naphthalenyl)propyl]piperazine
Comments Computed using HOSE algorithm
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Exact Mass 398.212491325 u
Formula C24H31ClN2O
InChI InChI=1S/C24H31ClN2O/c1-28-24-9-3-7-22-19(5-2-8-23(22)24)6-4-14-26-15-17-27(18-16-26)21-12-10-20(25)11-13-21/h3,7,9-13,19H,2,4-6,8,14-18H2,1H3
InChIKey TWAJXJHCRRIGAN-UHFFFAOYSA-N
Molecular Weight 398.978 g/mol
SMILES C=1(N2CCN(CC2)CCCC2C3=C(C(OC)=CC=C3)CCC2)C=CC(=CC1)Cl