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benzoic acid, 4-[(E)-[3-[2-[[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-2,4-dioxo-5-thiazolidinylidene]methyl]-, methyl ester

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benzoic acid, 4-[(E)-[3-[2-[[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-2,4-dioxo-5-thiazolidinylidene]methyl]-, methyl ester
SpectraBase Compound ID 3r6d0iCXAaQ
InChI InChI=1S/C18H21N3O5S/c1-20(2)9-8-19-15(22)11-21-16(23)14(27-18(21)25)10-12-4-6-13(7-5-12)17(24)26-3/h4-7,10H,8-9,11H2,1-3H3,(H,19,22)/b14-10+
InChIKey AJOHTEPAPRDQJB-GXDHUFHOSA-N
Mol Weight 391.44 g/mol
Molecular Formula C18H21N3O5S
Exact Mass 391.120192 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 33s45gg3TEE
Name benzoic acid, 4-[(E)-[3-[2-[[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-2,4-dioxo-5-thiazolidinylidene]methyl]-, methyl ester
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/C18H21N3O5S/c1-20(2)9-8-19-15(22)11-21-16(23)14(27-18(21)25)10-12-4-6-13(7-5-12)17(24)26-3/h4-7,10H,8-9,11H2,1-3H3,(H,19,22)/b14-10+
InChIKey AJOHTEPAPRDQJB-GXDHUFHOSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_7258
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: F30306; Labnumber: EXGOR1-10085