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2-((Phenylsulfonyl)prolyl)-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID 5jtfI5APrxV
InChI InChI=1S/C20H22N2O3S/c23-20(21-14-12-16-7-4-5-8-17(16)15-21)19-11-6-13-22(19)26(24,25)18-9-2-1-3-10-18/h1-5,7-10,19H,6,11-15H2
InChIKey XVHWONOBDQCREC-UHFFFAOYSA-N
Mol Weight 370.47 g/mol
Molecular Formula C20H22N2O3S
Exact Mass 370.135114 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID rmODwtMmZh
Name 2-((Phenylsulfonyl)prolyl)-1,2,3,4-tetrahydroisoquinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.135113747 u
Formula C20H22N2O3S
InChI InChI=1S/C20H22N2O3S/c23-20(21-14-12-16-7-4-5-8-17(16)15-21)19-11-6-13-22(19)26(24,25)18-9-2-1-3-10-18/h1-5,7-10,19H,6,11-15H2
InChIKey XVHWONOBDQCREC-UHFFFAOYSA-N
Molecular Weight 370.467 g/mol
SMILES C1N(CCC2=C1C=CC=C2)C(=O)C1N(CCC1)S(=O)(=O)C1=CC=CC=C1