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

View entire compound with spectra: 1 NMR

2-(((4-nitrophenyl)sulfonyl)prolyl)-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID FxBhFrCR1s0
InChI InChI=1S/C20H21N3O5S/c24-20(21-13-11-15-4-1-2-5-16(15)14-21)19-6-3-12-22(19)29(27,28)18-9-7-17(8-10-18)23(25)26/h1-2,4-5,7-10,19H,3,6,11-14H2
InChIKey RJXICUZEPPISJH-UHFFFAOYSA-N
Mol Weight 415.46 g/mol
Molecular Formula C20H21N3O5S
Exact Mass 415.120192 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4n7PoAPxX7q
Name 2-(((4-nitrophenyl)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 415.120191957 u
Formula C20H21N3O5S
InChI InChI=1S/C20H21N3O5S/c24-20(21-13-11-15-4-1-2-5-16(15)14-21)19-6-3-12-22(19)29(27,28)18-9-7-17(8-10-18)23(25)26/h1-2,4-5,7-10,19H,3,6,11-14H2
InChIKey RJXICUZEPPISJH-UHFFFAOYSA-N
Molecular Weight 415.464 g/mol
SMILES C1N(CCC2=C1C=CC=C2)C(=O)C1N(CCC1)S(=O)(=O)C1=CC=C(C=C1)N(=O)=O