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1-{[4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethyl-2-butanone

View entire compound with spectra: 1 NMR

1-{[4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethyl-2-butanone
SpectraBase Compound ID DDW8kwS3w1A
InChI InChI=1S/C17H23N3O2S/c1-6-20-15(12-9-7-8-10-13(12)22-5)18-19-16(20)23-11-14(21)17(2,3)4/h7-10H,6,11H2,1-5H3
InChIKey NKYVVCIOPAEYMT-UHFFFAOYSA-N
Mol Weight 333.45 g/mol
Molecular Formula C17H23N3O2S
Exact Mass 333.151098 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9a0tcyugIAo
Name 1-{[4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethyl-2-butanone
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/C17H23N3O2S/c1-6-20-15(12-9-7-8-10-13(12)22-5)18-19-16(20)23-11-14(21)17(2,3)4/h7-10H,6,11H2,1-5H3
InChIKey NKYVVCIOPAEYMT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11709
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: E08632; Labnumber: GRES-37288; SBI_ID: SBI-011712
Temperature 308 °C