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ethyl (1R,2R,3R,3aS)-1-[4-(acetyloxy)benzoyl]-3-cyano-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
SpectraBase Compound ID 6Sn6aq8FtFe
InChI InChI=1S/C31H26N2O5/c1-3-37-30(36)31(19-32)26-18-15-21-9-7-8-12-25(21)33(26)28(27(31)22-10-5-4-6-11-22)29(35)23-13-16-24(17-14-23)38-20(2)34/h4-18,26-28H,3H2,1-2H3
InChIKey LHCFSPGTEMLZMA-UHFFFAOYSA-N
Mol Weight 506.56 g/mol
Molecular Formula C31H26N2O5
Exact Mass 506.184172 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID z9WOORJZ1d
Name ethyl (1R,2R,3R,3aS)-1-[4-(acetyloxy)benzoyl]-3-cyano-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
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/C31H26N2O5/c1-3-37-30(36)31(19-32)26-18-15-21-9-7-8-12-25(21)33(26)28(27(31)22-10-5-4-6-11-22)29(35)23-13-16-24(17-14-23)38-20(2)34/h4-18,26-28H,3H2,1-2H3
InChIKey LHCFSPGTEMLZMA-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2673
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: D05031; Labnumber: NNA05-284; SBI_ID: SBI-002675
Temperature 306 °C