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methyl (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

methyl (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 EC74BTKo4Xk
InChI InChI=1S/C26H25N3O5/c1-25(2,3)23(30)22-21(17-9-12-18(13-10-17)29(32)33)26(15-27,24(31)34-4)20-14-11-16-7-5-6-8-19(16)28(20)22/h5-14,20-22H,1-4H3
InChIKey TWOLNUBFPUREAF-UHFFFAOYSA-N
Mol Weight 459.5 g/mol
Molecular Formula C26H25N3O5
Exact Mass 459.179421 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3gOyECwx0hu
Name methyl (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 © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C26H25N3O5/c1-25(2,3)23(30)22-21(17-9-12-18(13-10-17)29(32)33)26(15-27,24(31)34-4)20-14-11-16-7-5-6-8-19(16)28(20)22/h5-14,20-22H,1-4H3
InChIKey TWOLNUBFPUREAF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1881
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: C99361; Labnumber: NNA05-106; SBI_ID: SBI-001883
Synonyms methyl 3-cyano-1-(2,2-dimethylpropanoyl)-2-(4-nitrophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Temperature 318 °C