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cyclopentyl 4-(5-bromo-2-thienyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID HeF5FkHXjrx
InChI InChI=1S/C22H26BrNO3S/c1-12-18(21(26)27-13-6-4-5-7-13)20(16-8-9-17(23)28-16)19-14(24-12)10-22(2,3)11-15(19)25/h8-9,13,20,24H,4-7,10-11H2,1-3H3
InChIKey GRDZHISNMNBVID-UHFFFAOYSA-N
Mol Weight 464.42 g/mol
Molecular Formula C22H26BrNO3S
Exact Mass 463.081678 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D6b7anVZqvM
Name cyclopentyl 4-(5-bromo-2-thienyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
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/C22H26BrNO3S/c1-12-18(21(26)27-13-6-4-5-7-13)20(16-8-9-17(23)28-16)19-14(24-12)10-22(2,3)11-15(19)25/h8-9,13,20,24H,4-7,10-11H2,1-3H3
InChIKey GRDZHISNMNBVID-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13252
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: UZI/9076567; UBI_ID: UBI-013255
Temperature 308 °C