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N-(2-{(2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylene]hydrazino}-2-oxoethyl)-4-methylbenzenesulfonamide
SpectraBase Compound ID 80hnYT84j4M
InChI InChI=1S/C17H16BrN3O5S/c1-11-2-4-13(5-3-11)27(23,24)20-9-17(22)21-19-8-12-6-15-16(7-14(12)18)26-10-25-15/h2-8,20H,9-10H2,1H3,(H,21,22)/b19-8+
InChIKey XPJYZQWKJFAXRD-UFWORHAWSA-N
Mol Weight 454.3 g/mol
Molecular Formula C17H16BrN3O5S
Exact Mass 452.999405 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Lk97l3gK7Kv
Name N-(2-{(2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylene]hydrazino}-2-oxoethyl)-4-methylbenzenesulfonamide
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/C17H16BrN3O5S/c1-11-2-4-13(5-3-11)27(23,24)20-9-17(22)21-19-8-12-6-15-16(7-14(12)18)26-10-25-15/h2-8,20H,9-10H2,1H3,(H,21,22)/b19-8+
InChIKey XPJYZQWKJFAXRD-UFWORHAWSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17804
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/9070357; UBI_ID: UBI-017807
Synonyms N-(2-{2-[(6-bromo-1,3-benzodioxol-5-yl)methylene]hydrazino}-2-oxoethyl)-4-methylbenzenesulfonamide
Temperature 313 °C