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3-(difluoromethyl)-N-((E)-{5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-2-furyl}methylidene)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine
SpectraBase Compound ID JFuhjntqxYp
InChI InChI=1S/C20H20F2N4O2S/c1-2-29-20-25-24-19(18(21)22)26(20)23-11-16-8-9-17(28-16)12-27-15-7-6-13-4-3-5-14(13)10-15/h6-11,18H,2-5,12H2,1H3/b23-11+
InChIKey NYJODICXFIQLGK-FOKLQQMPSA-N
Mol Weight 418.46 g/mol
Molecular Formula C20H20F2N4O2S
Exact Mass 418.127503 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5NwVSIQ0QKL
Name 3-(difluoromethyl)-N-((E)-{5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-2-furyl}methylidene)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine
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/C20H20F2N4O2S/c1-2-29-20-25-24-19(18(21)22)26(20)23-11-16-8-9-17(28-16)12-27-15-7-6-13-4-3-5-14(13)10-15/h6-11,18H,2-5,12H2,1H3/b23-11+
InChIKey NYJODICXFIQLGK-FOKLQQMPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31080
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: 1729473; SBI_ID: SBI-031084
Synonyms N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-N-((E)-{5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-2-furyl}methylidene)amine3-(difluoromethyl)-N-({5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-2-furyl}methylidene)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine
Temperature 318 °C