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ethyl (1S,2S,3S)-3-cyano-1-(2,2-dimethylpropanoyl)-2-(4-nitrophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate

View entire compound with spectra: 1 NMR

ethyl (1S,2S,3S)-3-cyano-1-(2,2-dimethylpropanoyl)-2-(4-nitrophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
SpectraBase Compound ID 9msDqsl9hSr
InChI InChI=1S/C27H27N3O5/c1-5-35-25(32)27(16-28)21-15-12-17-8-6-7-9-20(17)29(21)23(24(31)26(2,3)4)22(27)18-10-13-19(14-11-18)30(33)34/h6-15,21-23H,5H2,1-4H3
InChIKey HCYYIRCJIHTTLP-UHFFFAOYSA-N
Mol Weight 473.53 g/mol
Molecular Formula C27H27N3O5
Exact Mass 473.195071 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5eYf5l8O5pE
Name ethyl (1S,2S,3S)-3-cyano-1-(2,2-dimethylpropanoyl)-2-(4-nitrophenyl)-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/C27H27N3O5/c1-5-35-25(32)27(16-28)21-15-12-17-8-6-7-9-20(17)29(21)23(24(31)26(2,3)4)22(27)18-10-13-19(14-11-18)30(33)34/h6-15,21-23H,5H2,1-4H3
InChIKey HCYYIRCJIHTTLP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1885
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: C99370; Labnumber: NNA05-115; SBI_ID: SBI-001887
Synonyms ethyl 3-cyano-1-(2,2-dimethylpropanoyl)-2-(4-nitrophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Temperature 318 °C