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3H-1,2,4-triazole-3-thione, 4-(1,3-benzodioxol-5-ylmethyl)-2,4-dihydro-5-(phenoxymethyl)-
SpectraBase Compound ID 2kLoI45va0S
InChI InChI=1S/C17H15N3O3S/c24-17-19-18-16(10-21-13-4-2-1-3-5-13)20(17)9-12-6-7-14-15(8-12)23-11-22-14/h1-8H,9-11H2,(H,19,24)
InChIKey LBMAGRPKAHOXQA-UHFFFAOYSA-N
Mol Weight 341.39 g/mol
Molecular Formula C17H15N3O3S
Exact Mass 341.083413 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I4VTRT8OrVE
Name 3H-1,2,4-triazole-3-thione, 4-(1,3-benzodioxol-5-ylmethyl)-2,4-dihydro-5-(phenoxymethyl)-
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/C17H15N3O3S/c24-17-19-18-16(10-21-13-4-2-1-3-5-13)20(17)9-12-6-7-14-15(8-12)23-11-22-14/h1-8H,9-11H2,(H,19,24)
InChIKey LBMAGRPKAHOXQA-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_11580
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: F31590; Labnumber: SPYEL-7372