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N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furamide
SpectraBase Compound ID LipKwoTOqTd
InChI InChI=1S/C19H17N5O4S/c20-8-15-14-4-2-1-3-5-17(14)29-19(15)22-18(25)16-7-6-13(28-16)11-23-10-12(9-21-23)24(26)27/h6-7,9-10H,1-5,11H2,(H,22,25)
InChIKey GQGHZAHHUCBTEW-UHFFFAOYSA-N
Mol Weight 411.44 g/mol
Molecular Formula C19H17N5O4S
Exact Mass 411.100125 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6vyMU61hGul
Name N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furamide
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/C19H17N5O4S/c20-8-15-14-4-2-1-3-5-17(14)29-19(15)22-18(25)16-7-6-13(28-16)11-23-10-12(9-21-23)24(26)27/h6-7,9-10H,1-5,11H2,(H,22,25)
InChIKey GQGHZAHHUCBTEW-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1022
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/1219590; Labnumber: AC-NHALL/0437265; UZI_ID: UZI-001024
Temperature 306 °C