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2-(4-bromophenyl)-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}acetamide
SpectraBase Compound ID yJpcMHHKBL
InChI InChI=1S/C17H17BrN2O5S/c18-12-3-1-11(2-4-12)5-17(23)19-13-6-14(20(24)25)8-16(7-13)26-10-15(22)9-21/h1-4,6-8,15,21-22H,5,9-10H2,(H,19,23)
InChIKey UROGZHXXRNDSDU-UHFFFAOYSA-N
Mol Weight 441.3 g/mol
Molecular Formula C17H17BrN2O5S
Exact Mass 440.004156 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2mCfd7llf8a
Name 2-(4-bromophenyl)-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}acetamide
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/C17H17BrN2O5S/c18-12-3-1-11(2-4-12)5-17(23)19-13-6-14(20(24)25)8-16(7-13)26-10-15(22)9-21/h1-4,6-8,15,21-22H,5,9-10H2,(H,19,23)
InChIKey UROGZHXXRNDSDU-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15013
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/1022676; UBI_ID: UBI-015016
Temperature 315 °C