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N-{[3-(4-methoxyphenyl)-4,5-dihydro-5-isoxazolyl]methyl}-N'-(3-pyridinylmethyl)thiourea
SpectraBase Compound ID Jo03Gq83QxS
InChI InChI=1S/C18H20N4O2S/c1-23-15-6-4-14(5-7-15)17-9-16(24-22-17)12-21-18(25)20-11-13-3-2-8-19-10-13/h2-8,10,16H,9,11-12H2,1H3,(H2,20,21,25)
InChIKey MYXHFPJFZREMTC-UHFFFAOYSA-N
Mol Weight 356.44 g/mol
Molecular Formula C18H20N4O2S
Exact Mass 356.130697 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CIsQmCMM2eP
Name N-{[3-(4-methoxyphenyl)-4,5-dihydro-5-isoxazolyl]methyl}-N'-(3-pyridinylmethyl)thiourea
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/C18H20N4O2S/c1-23-15-6-4-14(5-7-15)17-9-16(24-22-17)12-21-18(25)20-11-13-3-2-8-19-10-13/h2-8,10,16H,9,11-12H2,1H3,(H2,20,21,25)
InChIKey MYXHFPJFZREMTC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4590
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: E09560; Labnumber: LRP02-1156; SBI_ID: SBI-004592
Temperature 308 °C