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methyl 2-{[(E)-(1-hexyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4,5-dimethoxybenzoate
SpectraBase Compound ID 3jOCXkmi87t
InChI InChI=1S/C21H27N3O6S/c1-5-6-7-8-9-24-19(26)14(18(25)23-21(24)31)12-22-15-11-17(29-3)16(28-2)10-13(15)20(27)30-4/h10-12,22H,5-9H2,1-4H3,(H,23,25,31)/b14-12+
InChIKey ALZRLRDONLJXHQ-WYMLVPIESA-N
Mol Weight 449.52 g/mol
Molecular Formula C21H27N3O6S
Exact Mass 449.162057 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F2uxpbrkVkg
Name methyl 2-{[(E)-(1-hexyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4,5-dimethoxybenzoate
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/C21H27N3O6S/c1-5-6-7-8-9-24-19(26)14(18(25)23-21(24)31)12-22-15-11-17(29-3)16(28-2)10-13(15)20(27)30-4/h10-12,22H,5-9H2,1-4H3,(H,23,25,31)/b14-12+
InChIKey ALZRLRDONLJXHQ-WYMLVPIESA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13598
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: D86305; Labnumber: KV-2536; SBI_ID: SBI-013601
Synonyms methyl 2-{[(1-hexyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4,5-dimethoxybenzoate
Temperature 308 °C