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ethyl 4-(1-oxo-7-{[(2-thienylmethyl)amino]carbonyl}-1,3-dihydro-2H-isoindol-2-yl)-1-piperidinecarboxylate
SpectraBase Compound ID B3ICwxXCM3L
InChI InChI=1S/C22H25N3O4S/c1-2-29-22(28)24-10-8-16(9-11-24)25-14-15-5-3-7-18(19(15)21(25)27)20(26)23-13-17-6-4-12-30-17/h3-7,12,16H,2,8-11,13-14H2,1H3,(H,23,26)
InChIKey WSWKJSBEPXTLIZ-UHFFFAOYSA-N
Mol Weight 427.52 g/mol
Molecular Formula C22H25N3O4S
Exact Mass 427.156577 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jy6SoaLLQjS
Name ethyl 4-(1-oxo-7-{[(2-thienylmethyl)amino]carbonyl}-1,3-dihydro-2H-isoindol-2-yl)-1-piperidinecarboxylate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.156577467 u
Formula C22H25N3O4S
InChI InChI=1S/C22H25N3O4S/c1-2-29-22(28)24-10-8-16(9-11-24)25-14-15-5-3-7-18(19(15)21(25)27)20(26)23-13-17-6-4-12-30-17/h3-7,12,16H,2,8-11,13-14H2,1H3,(H,23,26)
InChIKey WSWKJSBEPXTLIZ-UHFFFAOYSA-N
Molecular Weight 427.519 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5710
Solvent DMSO-d6
Source Vendor ID: NMR/12668612
Temperature 23.85 °C