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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(3-iodophenyl)-2,5,5-trimethyl-7-oxo-, phenylmethyl ester

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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(3-iodophenyl)-2,5,5-trimethyl-7-oxo-, phenylmethyl ester
SpectraBase Compound ID FytUUouogz9
InChI InChI=1S/C26H26INO3/c1-16-22(25(30)31-15-17-8-5-4-6-9-17)23(18-10-7-11-19(27)12-18)24-21(28-16)13-20(29)14-26(24,2)3/h4-12,23,28H,13-15H2,1-3H3
InChIKey HRQQKIBKKCWECI-UHFFFAOYSA-N
Mol Weight 527.4 g/mol
Molecular Formula C26H26INO3
Exact Mass 527.095739 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HWTOy1Mym0j
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(3-iodophenyl)-2,5,5-trimethyl-7-oxo-, phenylmethyl 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/C26H26INO3/c1-16-22(25(30)31-15-17-8-5-4-6-9-17)23(18-10-7-11-19(27)12-18)24-21(28-16)13-20(29)14-26(24,2)3/h4-12,23,28H,13-15H2,1-3H3
InChIKey HRQQKIBKKCWECI-UHFFFAOYSA-N
NMR Offset 15.1248
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_8516_6190
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: ZI/6013337; Labnumber: SMM-726; IOH_ID: IOH-013193
Temperature 313 °C