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methyl 4-(3-{[(E)-(ethylamino)(phenylimino)methyl]sulfanyl}-2,5-dioxo-1-pyrrolidinyl)benzoate
SpectraBase Compound ID AIGq3en16QY
InChI InChI=1S/C21H21N3O4S/c1-3-22-21(23-15-7-5-4-6-8-15)29-17-13-18(25)24(19(17)26)16-11-9-14(10-12-16)20(27)28-2/h4-12,17H,3,13H2,1-2H3,(H,22,23)
InChIKey XNMLFCLAKMVGRY-UHFFFAOYSA-N
Mol Weight 411.48 g/mol
Molecular Formula C21H21N3O4S
Exact Mass 411.125277 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1bQA6RLtOFN
Name methyl 4-(3-{[(E)-(ethylamino)(phenylimino)methyl]sulfanyl}-2,5-dioxo-1-pyrrolidinyl)benzoate
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/C21H21N3O4S/c1-3-22-21(23-15-7-5-4-6-8-15)29-17-13-18(25)24(19(17)26)16-11-9-14(10-12-16)20(27)28-2/h4-12,17H,3,13H2,1-2H3,(H,22,23)
InChIKey XNMLFCLAKMVGRY-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_149
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: ZI/8090322; Labnumber: PE-0002851
Temperature 297 °C