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ethyl 4-{6-[(4-ethylphenyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,⁵]dec-8-en-3-yl}piperidine-1-carboxylate
SpectraBase Compound ID DoymlRoMSOD
InChI InChI=1S/C25H31N3O5/c1-3-16-5-7-17(8-6-16)26-22(29)20-19-9-12-25(33-19)15-28(23(30)21(20)25)18-10-13-27(14-11-18)24(31)32-4-2/h5-9,12,18-21H,3-4,10-11,13-15H2,1-2H3,(H,26,29)
InChIKey JDYCLIGBMOYEQD-UHFFFAOYSA-N
Mol Weight 453.54 g/mol
Molecular Formula C25H31N3O5
Exact Mass 453.226371 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 89ytBuLNjtm
Name ethyl 4-{6-[(4-ethylphenyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,⁵]dec-8-en-3-yl}piperidine-1-carboxylate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.226371105 u
Formula C25H31N3O5
InChI InChI=1S/C25H31N3O5/c1-3-16-5-7-17(8-6-16)26-22(29)20-19-9-12-25(33-19)15-28(23(30)21(20)25)18-10-13-27(14-11-18)24(31)32-4-2/h5-9,12,18-21H,3-4,10-11,13-15H2,1-2H3,(H,26,29)
InChIKey JDYCLIGBMOYEQD-UHFFFAOYSA-N
Molecular Weight 453.539 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7228
Solvent DMSO-d6
Source Vendor ID: NMR/12668454