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benzoic acid, 4-[(3aR,4S,9bS)-3a,4,5,9b-tetrahydro-8-[[(4-methoxyphenyl)amino]sulfonyl]-3H-cyclopenta[c]quinolin-4-yl]-, methyl ester
SpectraBase Compound ID GB9gKdZq77y
InChI InChI=1S/C27H26N2O5S/c1-33-20-12-10-19(11-13-20)29-35(31,32)21-14-15-25-24(16-21)22-4-3-5-23(22)26(28-25)17-6-8-18(9-7-17)27(30)34-2/h3-4,6-16,22-23,26,28-29H,5H2,1-2H3
InChIKey CPBFYPBQPSTYSI-UHFFFAOYSA-N
Mol Weight 490.57 g/mol
Molecular Formula C27H26N2O5S
Exact Mass 490.156243 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7vIhjkDEmeH
Name benzoic acid, 4-[(3aR,4S,9bS)-3a,4,5,9b-tetrahydro-8-[[(4-methoxyphenyl)amino]sulfonyl]-3H-cyclopenta[c]quinolin-4-yl]-, methyl ester
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/C27H26N2O5S/c1-33-20-12-10-19(11-13-20)29-35(31,32)21-14-15-25-24(16-21)22-4-3-5-23(22)26(28-25)17-6-8-18(9-7-17)27(30)34-2/h3-4,6-16,22-23,26,28-29H,5H2,1-2H3
InChIKey CPBFYPBQPSTYSI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_4946
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/12218090