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3,3-bis(Piperidinomethyl)-6,8-dichloro-4-chromanol

View entire compound with spectra: 2 NMR, and 1 FTIR

3,3-bis(Piperidinomethyl)-6,8-dichloro-4-chromanol
SpectraBase Compound ID HGsFdQSRuTx
InChI InChI=1S/C21H30Cl2N2O2/c22-16-11-17-19(18(23)12-16)27-15-21(20(17)26,13-24-7-3-1-4-8-24)14-25-9-5-2-6-10-25/h11-12,20,26H,1-10,13-15H2
InChIKey IEYZKUISRPYMIV-UHFFFAOYSA-N
Mol Weight 413.39 g/mol
Molecular Formula C21H30Cl2N2O2
Exact Mass 412.168434 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Liu1TxiZ1C
Name 3,3-bis(Piperidinomethyl)-6,8-dichloro-4-chromanol
Comments Computed using HOSE algorithm
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Exact Mass 412.168433612 u
Formula C21H30Cl2N2O2
InChI InChI=1S/C21H30Cl2N2O2/c22-16-11-17-19(18(23)12-16)27-15-21(20(17)26,13-24-7-3-1-4-8-24)14-25-9-5-2-6-10-25/h11-12,20,26H,1-10,13-15H2
InChIKey IEYZKUISRPYMIV-UHFFFAOYSA-N
Molecular Weight 413.389 g/mol
SMILES OC1C(COC=2C(=CC(=CC12)Cl)Cl)(CN1CCCCC1)CN1CCCCC1