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isopropyl {[4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
SpectraBase Compound ID 3ryZfJdhrQz
InChI InChI=1S/C16H21N3O2S/c1-5-19-15(13-8-6-7-12(4)9-13)17-18-16(19)22-10-14(20)21-11(2)3/h6-9,11H,5,10H2,1-4H3
InChIKey GJFMXDRYDYUPJG-UHFFFAOYSA-N
Mol Weight 319.42 g/mol
Molecular Formula C16H21N3O2S
Exact Mass 319.135448 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1Wa0Vh3CeeI
Name isopropyl {[4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
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/C16H21N3O2S/c1-5-19-15(13-8-6-7-12(4)9-13)17-18-16(19)22-10-14(20)21-11(2)3/h6-9,11H,5,10H2,1-4H3
InChIKey GJFMXDRYDYUPJG-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11239
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: E06523; Labnumber: GRES-24069; SBI_ID: SBI-011242
Temperature 315 °C