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ethyl 4-{[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]methyl}-5-methyl-3-isoxazolecarboxylate
SpectraBase Compound ID 3xYN9b1M4Eb
InChI InChI=1S/C16H17N3O3S/c1-5-21-16(20)14-13(11(4)22-19-14)8-23-15-12(7-17)9(2)6-10(3)18-15/h6H,5,8H2,1-4H3
InChIKey SFQXHGLLDKPYID-UHFFFAOYSA-N
Mol Weight 331.39 g/mol
Molecular Formula C16H17N3O3S
Exact Mass 331.099063 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2yEV385RQBI
Name ethyl 4-{[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]methyl}-5-methyl-3-isoxazolecarboxylate
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/C16H17N3O3S/c1-5-21-16(20)14-13(11(4)22-19-14)8-23-15-12(7-17)9(2)6-10(3)18-15/h6H,5,8H2,1-4H3
InChIKey SFQXHGLLDKPYID-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32662
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: 1897617; SBI_ID: SBI-032666
Temperature 315 °C