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Dimethyl cis-7-(phenylthio)indolo[2,3-a]quinolizidine-2-malonate

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Dimethyl cis-7-(phenylthio)indolo[2,3-a]quinolizidine-2-malonate
SpectraBase Compound ID DmI6zI2aOtM
InChI InChI=1S/C26H28N2O4S/c1-31-25(29)22(26(30)32-2)16-12-13-28-15-21(33-17-8-4-3-5-9-17)23-18-10-6-7-11-19(18)27-24(23)20(28)14-16/h3-11,16,20-22,27H,12-15H2,1-2H3/t16-,20+,21?/m1/s1
InChIKey WOBCNBOALJGNTK-DPVFXHEMSA-N
Mol Weight 464.58 g/mol
Molecular Formula C26H28N2O4S
Exact Mass 464.176979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B5gjblXSCbT
Name Dimethyl cis-7-(phenylthio)indolo[2,3-A]quinolizidine-2-malonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.176978560 u
Formula C26H28N2O4S
InChI InChI=1S/C26H28N2O4S/c1-31-25(29)22(26(30)32-2)16-12-13-28-15-21(33-17-8-4-3-5-9-17)23-18-10-6-7-11-19(18)27-24(23)20(28)14-16/h3-11,16,20-22,27H,12-15H2,1-2H3/t16-,20+,21?/m1/s1
InChIKey WOBCNBOALJGNTK-DPVFXHEMSA-N
Molecular Weight 464.580 g/mol
SMILES C12=C(C(SC3=CC=CC=C3)CN3[C@]1(C[C@](C(C(=O)OC)C(=O)OC)(CC3)[H])[H])C1=CC=CC=C1N2