For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazole

View entire compound with spectra: 1 NMR

3-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazole
SpectraBase Compound ID KXnL4qsi96K
InChI InChI=1S/C16H19ClN8O3S/c1-2-22-9-13(17)14(21-22)15-19-20-16(24(15)8-12-4-3-5-28-12)29-10-23-7-11(6-18-23)25(26)27/h6-7,9,12H,2-5,8,10H2,1H3
InChIKey DMJSHHVECIUILJ-UHFFFAOYSA-N
Mol Weight 438.89 g/mol
Molecular Formula C16H19ClN8O3S
Exact Mass 438.098935 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8yC3BR00FsO
Name 3-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazole
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/C16H19ClN8O3S/c1-2-22-9-13(17)14(21-22)15-19-20-16(24(15)8-12-4-3-5-28-12)29-10-23-7-11(6-18-23)25(26)27/h6-7,9,12H,2-5,8,10H2,1H3
InChIKey DMJSHHVECIUILJ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11488
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/1265586; Labnumber: NIV1451; UZI_ID: UZI-011490
Synonyms 5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl (4-nitro-1H-pyrazol-1-yl)methyl sulfide
Temperature 308 °C