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4H-1,2,4-triazole-3-thiol, 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(1-methylethyl)-

View entire compound with spectra: 1 NMR

4H-1,2,4-triazole-3-thiol, 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(1-methylethyl)-
SpectraBase Compound ID 3PQUBzEa8WY
InChI InChI=1S/C13H15N3O2S/c1-8(2)12-14-15-13(19)16(12)9-3-4-10-11(7-9)18-6-5-17-10/h3-4,7-8H,5-6H2,1-2H3,(H,15,19)
InChIKey QSIRSHKUPNQEOK-UHFFFAOYSA-N
Mol Weight 277.34 g/mol
Molecular Formula C13H15N3O2S
Exact Mass 277.088498 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 94RVNmTrbVt
Name 4H-1,2,4-triazole-3-thiol, 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(1-methylethyl)-
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/C13H15N3O2S/c1-8(2)12-14-15-13(19)16(12)9-3-4-10-11(7-9)18-6-5-17-10/h3-4,7-8H,5-6H2,1-2H3,(H,15,19)
InChIKey QSIRSHKUPNQEOK-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_11449
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: F43007; Labnumber: NNOBK-11701
Temperature 315 °C