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4-butoxy-3-iodo-5-methoxybenzaldehyde thiosemicarbazone

View entire compound with spectra: 1 NMR

4-butoxy-3-iodo-5-methoxybenzaldehyde thiosemicarbazone
SpectraBase Compound ID Cf1aWgvSvbE
InChI InChI=1S/C13H18IN3O2S/c1-3-4-5-19-12-10(14)6-9(7-11(12)18-2)8-16-17-13(15)20/h6-8H,3-5H2,1-2H3,(H3,15,17,20)/b16-8+
InChIKey RRRUZEQLVRGUCI-LZYBPNLTSA-N
Mol Weight 407.27 g/mol
Molecular Formula C13H18IN3O2S
Exact Mass 407.016443 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7bBgoPRGNJq
Name 4-butoxy-3-iodo-5-methoxybenzaldehyde thiosemicarbazone
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/C13H18IN3O2S/c1-3-4-5-19-12-10(14)6-9(7-11(12)18-2)8-16-17-13(15)20/h6-8H,3-5H2,1-2H3,(H3,15,17,20)/b16-8+
InChIKey RRRUZEQLVRGUCI-LZYBPNLTSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10556
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: UZI/9072560; UBI_ID: UBI-010559
Temperature 318 °C