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2-chloro-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-5-(1H-tetraazol-1-yl)benzamide
SpectraBase Compound ID 1KUSFDGwmx3
InChI InChI=1S/C17H15ClN6O5S/c18-16-2-1-11(23-9-19-21-22-23)6-15(16)17(27)20-10-3-12(24(28)29)5-14(4-10)30-8-13(26)7-25/h1-6,9,13,25-26H,7-8H2,(H,20,27)
InChIKey LIPZBKDXVRKSSK-UHFFFAOYSA-N
Mol Weight 450.86 g/mol
Molecular Formula C17H15ClN6O5S
Exact Mass 450.051316 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GPZ0qbjnlDA
Name 2-chloro-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-5-(1H-tetraazol-1-yl)benzamide
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/C17H15ClN6O5S/c18-16-2-1-11(23-9-19-21-22-23)6-15(16)17(27)20-10-3-12(24(28)29)5-14(4-10)30-8-13(26)7-25/h1-6,9,13,25-26H,7-8H2,(H,20,27)
InChIKey LIPZBKDXVRKSSK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8608
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/1025570; Labnumber: DMS0040; UZI_ID: UZI-008610
Temperature 308 °C