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(1S,9S)-11-{3-[(5Z)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one
SpectraBase Compound ID IcjL0NBPuug
InChI InChI=1S/C25H25N3O4S2/c1-32-19-7-5-16(6-8-19)12-21-24(31)27(25(33)34-21)10-9-22(29)26-13-17-11-18(15-26)20-3-2-4-23(30)28(20)14-17/h2-8,12,17-18H,9-11,13-15H2,1H3/b21-12-
InChIKey KBAAVNZHBLMOHL-MTJSOVHGSA-N
Mol Weight 495.61 g/mol
Molecular Formula C25H25N3O4S2
Exact Mass 495.128649 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3lvPbywwky2
Name (1S,9S)-11-{3-[(5Z)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one
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/C25H25N3O4S2/c1-32-19-7-5-16(6-8-19)12-21-24(31)27(25(33)34-21)10-9-22(29)26-13-17-11-18(15-26)20-3-2-4-23(30)28(20)14-17/h2-8,12,17-18H,9-11,13-15H2,1H3/b21-12-
InChIKey KBAAVNZHBLMOHL-MTJSOVHGSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_13689
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: 200437; Labnumber: EX00086953; VK_ID: VK-013694
Synonyms 11-{3-[5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one
Temperature 318 °C