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benzoic acid, 4-[(3aS,4R,9bR)-9-chloro-3a,4,5,9b-tetrahydro-6-methoxy-3H-cyclopenta[c]quinolin-4-yl]-, methyl ester
SpectraBase Compound ID IrjF9eKC04H
InChI InChI=1S/C21H20ClNO3/c1-25-17-11-10-16(22)18-14-4-3-5-15(14)19(23-20(17)18)12-6-8-13(9-7-12)21(24)26-2/h3-4,6-11,14-15,19,23H,5H2,1-2H3
InChIKey LSEUQOBRAOITCE-UHFFFAOYSA-N
Mol Weight 369.85 g/mol
Molecular Formula C21H20ClNO3
Exact Mass 369.113171 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ck867NZZv0m
Name benzoic acid, 4-[(3aS,4R,9bR)-9-chloro-3a,4,5,9b-tetrahydro-6-methoxy-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/C21H20ClNO3/c1-25-17-11-10-16(22)18-14-4-3-5-15(14)19(23-20(17)18)12-6-8-13(9-7-12)21(24)26-2/h3-4,6-11,14-15,19,23H,5H2,1-2H3
InChIKey LSEUQOBRAOITCE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_4914
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/12218052