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benzoic acid, 4-[(3aR,4S,9bS)-8-[[(2-fluorophenyl)amino]sulfonyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-
SpectraBase Compound ID 31v44NAoSCR
InChI InChI=1S/C25H21FN2O4S/c26-21-6-1-2-7-23(21)28-33(31,32)17-12-13-22-20(14-17)18-4-3-5-19(18)24(27-22)15-8-10-16(11-9-15)25(29)30/h1-4,6-14,18-19,24,27-28H,5H2,(H,29,30)
InChIKey YOIPRVFBDLXVCK-UHFFFAOYSA-N
Mol Weight 464.51 g/mol
Molecular Formula C25H21FN2O4S
Exact Mass 464.120606 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IjaJQtTn0n0
Name benzoic acid, 4-[(3aR,4S,9bS)-8-[[(2-fluorophenyl)amino]sulfonyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H21FN2O4S/c26-21-6-1-2-7-23(21)28-33(31,32)17-12-13-22-20(14-17)18-4-3-5-19(18)24(27-22)15-8-10-16(11-9-15)25(29)30/h1-4,6-14,18-19,24,27-28H,5H2,(H,29,30)
InChIKey YOIPRVFBDLXVCK-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_4936
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/12218079