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2-{(5Z)-5-[4-(allyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanoic acid
SpectraBase Compound ID 2HTWX9hA4A9
InChI InChI=1S/C18H19NO4S2/c1-3-5-14(17(21)22)19-16(20)15(25-18(19)24)11-12-6-8-13(9-7-12)23-10-4-2/h4,6-9,11,14H,2-3,5,10H2,1H3,(H,21,22)/b15-11-
InChIKey CPFLMPVQFKYZFT-PTNGSMBKSA-N
Mol Weight 377.47 g/mol
Molecular Formula C18H19NO4S2
Exact Mass 377.07555 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9YXu4mylyIy
Name 2-{(5Z)-5-[4-(allyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanoic acid
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/C18H19NO4S2/c1-3-5-14(17(21)22)19-16(20)15(25-18(19)24)11-12-6-8-13(9-7-12)23-10-4-2/h4,6-9,11,14H,2-3,5,10H2,1H3,(H,21,22)/b15-11-
InChIKey CPFLMPVQFKYZFT-PTNGSMBKSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23715
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: D43240; Labnumber: GORPS-009-5073; SBI_ID: SBI-023719
Synonyms 2-{5-[4-(allyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanoic acid
Temperature 318 °C