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({4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
SpectraBase Compound ID 6mRSEEhZ8
InChI InChI=1S/C19H19N3O3S/c1-14-7-5-6-10-16(14)25-12-17-20-21-19(26-13-18(23)24)22(17)11-15-8-3-2-4-9-15/h2-10H,11-13H2,1H3,(H,23,24)
InChIKey UGRNRZUIDSOYHL-UHFFFAOYSA-N
Mol Weight 369.44 g/mol
Molecular Formula C19H19N3O3S
Exact Mass 369.114713 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7nIjpekIW5L
Name ({4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
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/C19H19N3O3S/c1-14-7-5-6-10-16(14)25-12-17-20-21-19(26-13-18(23)24)22(17)11-15-8-3-2-4-9-15/h2-10H,11-13H2,1H3,(H,23,24)
InChIKey UGRNRZUIDSOYHL-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_499
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: NMR/8325468; Labnumber: LP-2181162
Temperature 303 °C