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I8QSqUG0XCJ
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I8QSqUG0XCJ
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1H NMR
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1H Nuclear Magnetic Resonance (NMR) Spectrum
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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-4-(4-propoxyphenyl)-, 2-phenylethyl ester
SpectraBase Compound ID 229WoEfIF1t
InChI InChI=1S/C28H31NO4/c1-3-17-32-22-14-12-21(13-15-22)26-25(19(2)29-23-10-7-11-24(30)27(23)26)28(31)33-18-16-20-8-5-4-6-9-20/h4-6,8-9,12-15,26,29H,3,7,10-11,16-18H2,1-2H3
InChIKey VTAUTJAZIHITQQ-UHFFFAOYSA-N
Mol Weight 445.56 g/mol
Molecular Formula C28H31NO4
Exact Mass 445.225308 g/mol
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1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I8QSqUG0XCJ
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-4-(4-propoxyphenyl)-, 2-phenylethyl ester
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.225308478 u
Formula C28H31NO4
InChI InChI=1S/C28H31NO4/c1-3-17-32-22-14-12-21(13-15-22)26-25(19(2)29-23-10-7-11-24(30)27(23)26)28(31)33-18-16-20-8-5-4-6-9-20/h4-6,8-9,12-15,26,29H,3,7,10-11,16-18H2,1-2H3
InChIKey VTAUTJAZIHITQQ-UHFFFAOYSA-N
Molecular Weight 445.559 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6008
Solvent DMSO-d6
Source Vendor ID: NMR/10211643; Lab Info: SAS; Lab Number: SAS-tst3324
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