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5-chloro-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-2-methoxy-4-(1H-tetraazol-1-yl)benzamide
SpectraBase Compound ID 2iE4FCmIGWf
InChI InChI=1S/C18H17ClN6O6S/c1-31-17-6-16(24-9-20-22-23-24)15(19)5-14(17)18(28)21-10-2-11(25(29)30)4-13(3-10)32-8-12(27)7-26/h2-6,9,12,26-27H,7-8H2,1H3,(H,21,28)
InChIKey VMPNDVGYWHOYIG-UHFFFAOYSA-N
Mol Weight 480.88 g/mol
Molecular Formula C18H17ClN6O6S
Exact Mass 480.061881 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9NsmXDSFNaI
Name 5-chloro-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-2-methoxy-4-(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/C18H17ClN6O6S/c1-31-17-6-16(24-9-20-22-23-24)15(19)5-14(17)18(28)21-10-2-11(25(29)30)4-13(3-10)32-8-12(27)7-26/h2-6,9,12,26-27H,7-8H2,1H3,(H,21,28)
InChIKey VMPNDVGYWHOYIG-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8607
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/1025787; Labnumber: DMS0039; UZI_ID: UZI-008609
Temperature 308 °C