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2-phenylethyl 2,7,7-trimethyl-5-oxo-4-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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2-phenylethyl 2,7,7-trimethyl-5-oxo-4-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 95fTaE445o1
InChI InChI=1S/C25H27NO3S/c1-16-21(24(28)29-12-11-17-8-5-4-6-9-17)23(20-10-7-13-30-20)22-18(26-16)14-25(2,3)15-19(22)27/h4-10,13,23,26H,11-12,14-15H2,1-3H3
InChIKey YPUNKDAXMIVCFB-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 I0vTS1BVrHU
Name 2-phenylethyl 2,7,7-trimethyl-5-oxo-4-(2-thienyl)-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/C25H27NO3S/c1-16-21(24(28)29-12-11-17-8-5-4-6-9-17)23(20-10-7-13-30-20)22-18(26-16)14-25(2,3)15-19(22)27/h4-10,13,23,26H,11-12,14-15H2,1-3H3
InChIKey YPUNKDAXMIVCFB-UHFFFAOYSA-N
NMR Offset 15.3209
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_34214
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: 2177023; SBI_ID: SBI-034218
Temperature 297 °C