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ethyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 7kxbiTOBJg7
InChI InChI=1S/C28H29ClN2O6/c1-5-36-27(33)24-16(2)30-20-13-28(3,4)14-22(32)26(20)25(24)18-8-11-23(21(12-18)31(34)35)37-15-17-6-9-19(29)10-7-17/h6-12,25,30H,5,13-15H2,1-4H3
InChIKey YPRFLVUYLYPXFF-UHFFFAOYSA-N
Mol Weight 525.0 g/mol
Molecular Formula C28H29ClN2O6
Exact Mass 524.171414 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID wZGCSLe1Nk
Name ethyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-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/C28H29ClN2O6/c1-5-36-27(33)24-16(2)30-20-13-28(3,4)14-22(32)26(20)25(24)18-8-11-23(21(12-18)31(34)35)37-15-17-6-9-19(29)10-7-17/h6-12,25,30H,5,13-15H2,1-4H3
InChIKey YPRFLVUYLYPXFF-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12538
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/9122908; UBI_ID: UBI-012541
Temperature 313 °C