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4-ethyl-3-[(4-nitrobenzyl)sulfanyl]-5-(phenoxymethyl)-4H-1,2,4-triazole
SpectraBase Compound ID 9aEmtryRoq6
InChI InChI=1S/C18H18N4O3S/c1-2-21-17(12-25-16-6-4-3-5-7-16)19-20-18(21)26-13-14-8-10-15(11-9-14)22(23)24/h3-11H,2,12-13H2,1H3
InChIKey NBFXPNCHYHWWHC-UHFFFAOYSA-N
Mol Weight 370.43 g/mol
Molecular Formula C18H18N4O3S
Exact Mass 370.109962 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2UVz6cj1jVL
Name 4-ethyl-3-[(4-nitrobenzyl)sulfanyl]-5-(phenoxymethyl)-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/C18H18N4O3S/c1-2-21-17(12-25-16-6-4-3-5-7-16)19-20-18(21)26-13-14-8-10-15(11-9-14)22(23)24/h3-11H,2,12-13H2,1H3
InChIKey NBFXPNCHYHWWHC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11529
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: E06457; Labnumber: GRES-22899; SBI_ID: SBI-011532
Synonyms {4-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl phenyl ether
Temperature 318 °C