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ethyl 2-(1,3-benzoxazol-2-ylamino)-4-({[(diethylamino)carbothioyl]sulfanyl}methyl)-5-pyrimidinecarboxylate
SpectraBase Compound ID 1yn9o7jPmsB
InChI InChI=1S/C20H23N5O3S2/c1-4-25(5-2)20(29)30-12-15-13(17(26)27-6-3)11-21-18(22-15)24-19-23-14-9-7-8-10-16(14)28-19/h7-11H,4-6,12H2,1-3H3,(H,21,22,23,24)
InChIKey GGWFPGAJYPEHPU-UHFFFAOYSA-N
Mol Weight 445.56 g/mol
Molecular Formula C20H23N5O3S2
Exact Mass 445.124232 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CwbRyipD6rU
Name ethyl 2-(1,3-benzoxazol-2-ylamino)-4-({[(diethylamino)carbothioyl]sulfanyl}methyl)-5-pyrimidinecarboxylate
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/C20H23N5O3S2/c1-4-25(5-2)20(29)30-12-15-13(17(26)27-6-3)11-21-18(22-15)24-19-23-14-9-7-8-10-16(14)28-19/h7-11H,4-6,12H2,1-3H3,(H,21,22,23,24)
InChIKey GGWFPGAJYPEHPU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13844
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: D91348; Labnumber: VGU-31275; SBI_ID: SBI-013847
Temperature 318 °C