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methyl 5-({4-[(E)-({3-[chloro(difluoro)methyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}imino)methyl]phenoxy}methyl)-2-furoate
SpectraBase Compound ID Gt2BBoKUdwQ
InChI InChI=1S/C17H13ClF2N4O4S/c1-26-14(25)13-7-6-12(28-13)9-27-11-4-2-10(3-5-11)8-21-24-15(17(18,19)20)22-23-16(24)29/h2-8H,9H2,1H3,(H,23,29)/b21-8+
InChIKey CIMPHYIACACXSR-ODCIPOBUSA-N
Mol Weight 442.82 g/mol
Molecular Formula C17H13ClF2N4O4S
Exact Mass 442.03141 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GDOxeIJHzHY
Name methyl 5-({4-[(E)-({3-[chloro(difluoro)methyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}imino)methyl]phenoxy}methyl)-2-furoate
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/C17H13ClF2N4O4S/c1-26-14(25)13-7-6-12(28-13)9-27-11-4-2-10(3-5-11)8-21-24-15(17(18,19)20)22-23-16(24)29/h2-8H,9H2,1H3,(H,23,29)/b21-8+
InChIKey CIMPHYIACACXSR-ODCIPOBUSA-N
NMR Offset 17.9122
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_29850
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: 1309825; SBI_ID: SBI-029854
Synonyms methyl 5-({4-[({3-[chloro(difluoro)methyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}imino)methyl]phenoxy}methyl)-2-furoate
Temperature 303 °C