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4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol

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4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID HuA1gYsdIOy
InChI InChI=1S/C12H13N3OS/c1-2-8-15-11(13-14-12(15)17)9-16-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,14,17)
InChIKey NIAYRNAJFNFAIP-UHFFFAOYSA-N
Mol Weight 247.32 g/mol
Molecular Formula C12H13N3OS
Exact Mass 247.077933 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LEGRokPGTbD
Name 4H-1,2,4-triazole-3-thiol, 5-(phenoxymethyl)-4-(2-propenyl)-
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/C12H13N3OS/c1-2-8-15-11(13-14-12(15)17)9-16-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,14,17)
InChIKey NIAYRNAJFNFAIP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3737
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/17231765; Labnumber: c_bloc-392