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2-(((4-fluorophenyl)sulfonyl)prolyl)-1,2,3,4-tetrahydroisoquinoline

View entire compound with spectra: 1 NMR

2-(((4-fluorophenyl)sulfonyl)prolyl)-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID DrnLour2OGa
InChI InChI=1S/C20H21FN2O3S/c21-17-7-9-18(10-8-17)27(25,26)23-12-3-6-19(23)20(24)22-13-11-15-4-1-2-5-16(15)14-22/h1-2,4-5,7-10,19H,3,6,11-14H2
InChIKey VLYREUMUWSTQLT-UHFFFAOYSA-N
Mol Weight 388.46 g/mol
Molecular Formula C20H21FN2O3S
Exact Mass 388.125692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A9de7hGrUr4
Name 2-(((4-fluorophenyl)sulfonyl)prolyl)-1,2,3,4-tetrahydroisoquinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.125691878 u
Formula C20H21FN2O3S
InChI InChI=1S/C20H21FN2O3S/c21-17-7-9-18(10-8-17)27(25,26)23-12-3-6-19(23)20(24)22-13-11-15-4-1-2-5-16(15)14-22/h1-2,4-5,7-10,19H,3,6,11-14H2
InChIKey VLYREUMUWSTQLT-UHFFFAOYSA-N
Molecular Weight 388.457 g/mol
SMILES C1N(CCC2=C1C=CC=C2)C(=O)C1N(CCC1)S(=O)(=O)C1=CC=C(C=C1)F