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5-(difluoromethyl)-4-[((E)-{5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-2-furyl}methylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID 9jW81r37YXA
InChI InChI=1S/C18H16F2N4O2S/c19-16(20)17-22-23-18(27)24(17)21-9-14-6-7-15(26-14)10-25-13-5-4-11-2-1-3-12(11)8-13/h4-9,16H,1-3,10H2,(H,23,27)/b21-9+
InChIKey RHCAKZVPTWAFSF-ZVBGSRNCSA-N
Mol Weight 390.41 g/mol
Molecular Formula C18H16F2N4O2S
Exact Mass 390.096203 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AUaO1TEVCvv
Name 5-(difluoromethyl)-4-[((E)-{5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-2-furyl}methylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide
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/C18H16F2N4O2S/c19-16(20)17-22-23-18(27)24(17)21-9-14-6-7-15(26-14)10-25-13-5-4-11-2-1-3-12(11)8-13/h4-9,16H,1-3,10H2,(H,23,27)/b21-9+
InChIKey RHCAKZVPTWAFSF-ZVBGSRNCSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29807
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: 1280305; SBI_ID: SBI-029811
Synonyms 5-(difluoromethyl)-4-[((E)-{5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-2-furyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol5-(difluoromethyl)-4-[({5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-2-furyl}methylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C