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4-{(E)-[(aminocarbothioyl)hydrazono]methyl}-2-iodo-6-methoxyphenyl benzoate
SpectraBase Compound ID IXSbxmW6LhL
InChI InChI=1S/C16H14IN3O3S/c1-22-13-8-10(9-19-20-16(18)24)7-12(17)14(13)23-15(21)11-5-3-2-4-6-11/h2-9H,1H3,(H3,18,20,24)/b19-9+
InChIKey ZCVWERBJFDNDNE-DJKKODMXSA-N
Mol Weight 455.27 g/mol
Molecular Formula C16H14IN3O3S
Exact Mass 454.980057 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3fy5en7QETB
Name 4-{(E)-[(aminocarbothioyl)hydrazono]methyl}-2-iodo-6-methoxyphenyl benzoate
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/C16H14IN3O3S/c1-22-13-8-10(9-19-20-16(18)24)7-12(17)14(13)23-15(21)11-5-3-2-4-6-11/h2-9H,1H3,(H3,18,20,24)/b19-9+
InChIKey ZCVWERBJFDNDNE-DJKKODMXSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18930
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/9131652; UBI_ID: UBI-018933
Synonyms 4-{[(aminocarbothioyl)hydrazono]methyl}-2-iodo-6-methoxyphenyl benzoate
Temperature 308 °C