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(1R,3S)-1-(4-CHLOROPHENYL)-3-ISOPROPOXYCARBONYL-1-METHYL-1,2,3,4-TETRAHYDRO-BETA-CARBOLINE
SpectraBase Compound ID DDC3cSMppHq
InChI InChI=1S/C22H23ClN2O2/c1-13(2)27-21(26)19-12-17-16-6-4-5-7-18(16)24-20(17)22(3,25-19)14-8-10-15(23)11-9-14/h4-11,13,19,24-25H,12H2,1-3H3/t19-,22+/m1/s1
InChIKey NTAAAXYUSBKISY-KNQAVFIVSA-N
Mol Weight 382.89 g/mol
Molecular Formula C22H23ClN2O2
Exact Mass 382.144806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FucRxTCVGef
Name (1R,3S)-1-(4-CHLOROPHENYL)-3-ISOPROPOXYCARBONYL-1-METHYL-1,2,3,4-TETRAHYDRO-BETA-CARBOLINE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H23ClN2O2
InChI InChI=1S/C22H23ClN2O2/c1-13(2)27-21(26)19-12-17-16-6-4-5-7-18(16)24-20(17)22(3,25-19)14-8-10-15(23)11-9-14/h4-11,13,19,24-25H,12H2,1-3H3/t19-,22+/m1/s1
InChIKey NTAAAXYUSBKISY-KNQAVFIVSA-N
Literature Reference Author Y.HORIGUCHI,M.NAKAMURA,T.SAITOH,T.SANO
Literature Reference Citation CHEM.PHARM.BULL.,51,1368(2003)
Literature Reference DOI 10.1248/cpb.51.1368
Molecular Weight 382.890 g/mol
Solvent CDCl3
Source File Reference UWLU20523