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2-ethyl 4-methyl 5-{[3-(1,3-dioxooctahydro-2H-isoindol-2-yl)propanoyl]amino}-3-methyl-2,4-thiophenedicarboxylate
SpectraBase Compound ID 8trca8atwV
InChI InChI=1S/C21H26N2O7S/c1-4-30-21(28)16-11(2)15(20(27)29-3)17(31-16)22-14(24)9-10-23-18(25)12-7-5-6-8-13(12)19(23)26/h12-13H,4-10H2,1-3H3,(H,22,24)
InChIKey XCVDUIGOACDLME-UHFFFAOYSA-N
Mol Weight 450.51 g/mol
Molecular Formula C21H26N2O7S
Exact Mass 450.146072 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DCk5spqpgCq
Name 2-ethyl 4-methyl 5-{[3-(1,3-dioxooctahydro-2H-isoindol-2-yl)propanoyl]amino}-3-methyl-2,4-thiophenedicarboxylate
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/C21H26N2O7S/c1-4-30-21(28)16-11(2)15(20(27)29-3)17(31-16)22-14(24)9-10-23-18(25)12-7-5-6-8-13(12)19(23)26/h12-13H,4-10H2,1-3H3,(H,22,24)
InChIKey XCVDUIGOACDLME-UHFFFAOYSA-N
NMR Offset 15.3209
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_34081
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: 2052832; SBI_ID: SBI-034085
Temperature 297 °C