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3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-methoxybenzaldehyde N-allylthiosemicarbazone
SpectraBase Compound ID L3HQpHydHlJ
InChI InChI=1S/C21H20N4O3S/c1-3-10-22-21(29)24-23-12-14-8-9-18(28-2)15(11-14)13-25-19(26)16-6-4-5-7-17(16)20(25)27/h3-9,11-12H,1,10,13H2,2H3,(H2,22,24,29)/b23-12+
InChIKey KVZVEMDQODPBIJ-FSJBWODESA-N
Mol Weight 408.48 g/mol
Molecular Formula C21H20N4O3S
Exact Mass 408.125612 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GINWD5ykac8
Name 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-methoxybenzaldehyde N-allylthiosemicarbazone
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/C21H20N4O3S/c1-3-10-22-21(29)24-23-12-14-8-9-18(28-2)15(11-14)13-25-19(26)16-6-4-5-7-17(16)20(25)27/h3-9,11-12H,1,10,13H2,2H3,(H2,22,24,29)/b23-12+
InChIKey KVZVEMDQODPBIJ-FSJBWODESA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18735
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: D10001; Labnumber: KHAN-0620; SBI_ID: SBI-018738
Temperature 308 °C