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4-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2-octanol

View entire compound with spectra: 1 NMR

4-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2-octanol
SpectraBase Compound ID LXPYoRyFeeX
InChI InChI=1S/C16H23N3OS/c1-3-4-8-13(11-12(2)20)15-17-18-16(21)19(15)14-9-6-5-7-10-14/h5-7,9-10,12-13,20H,3-4,8,11H2,1-2H3,(H,18,21)
InChIKey KLIVYBXUYVJJHP-UHFFFAOYSA-N
Mol Weight 305.44 g/mol
Molecular Formula C16H23N3OS
Exact Mass 305.156184 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5EYW4dvpi6y
Name 4-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2-octanol
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/C16H23N3OS/c1-3-4-8-13(11-12(2)20)15-17-18-16(21)19(15)14-9-6-5-7-10-14/h5-7,9-10,12-13,20H,3-4,8,11H2,1-2H3,(H,18,21)
InChIKey KLIVYBXUYVJJHP-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_4228
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: 112306; Labnumber: AMIR-4890; VK_ID: VK-004229
Temperature 308 °C