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5-keto-2,7,7-trimethyl-4-(3-thienyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester

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5-keto-2,7,7-trimethyl-4-(3-thienyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester
SpectraBase Compound ID 1xhfU4bsOxZ
InChI InChI=1S/C25H27NO3S/c1-16-21(24(28)29-11-9-17-7-5-4-6-8-17)22(18-10-12-30-15-18)23-19(26-16)13-25(2,3)14-20(23)27/h4-8,10,12,15,22,26H,9,11,13-14H2,1-3H3
InChIKey WZKGHJFSWGBTKN-UHFFFAOYSA-N
Mol Weight 421.56 g/mol
Molecular Formula C25H27NO3S
Exact Mass 421.171165 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CJ8JTJEVfFJ
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-(3-thienyl)-, 2-phenylethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.171164904 u
Formula C25H27NO3S
InChI InChI=1S/C25H27NO3S/c1-16-21(24(28)29-11-9-17-7-5-4-6-8-17)22(18-10-12-30-15-18)23-19(26-16)13-25(2,3)14-20(23)27/h4-8,10,12,15,22,26H,9,11,13-14H2,1-3H3
InChIKey WZKGHJFSWGBTKN-UHFFFAOYSA-N
Molecular Weight 421.555 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9368
Solvent DMSO-d6
Source Vendor ID: NMR/10240522; Lab Info: SAS; Lab Number: SAS-tst3710