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ethyl (2E)-5-(4-fluorophenyl)-7-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

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ethyl (2E)-5-(4-fluorophenyl)-7-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 37SxLYrZXRd
InChI InChI=1S/C21H18FN3O3S2/c1-4-28-20(27)17-12(3)24-21-25(18(17)13-5-7-14(22)8-6-13)19(26)16(30-21)9-15-11(2)23-10-29-15/h5-10,18H,4H2,1-3H3/b16-9+
InChIKey DBGOFKQCEOGWRU-CXUHLZMHSA-N
Mol Weight 443.51 g/mol
Molecular Formula C21H18FN3O3S2
Exact Mass 443.077362 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2px4PreLW6N
Name ethyl (2E)-5-(4-fluorophenyl)-7-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
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/C21H18FN3O3S2/c1-4-28-20(27)17-12(3)24-21-25(18(17)13-5-7-14(22)8-6-13)19(26)16(30-21)9-15-11(2)23-10-29-15/h5-10,18H,4H2,1-3H3/b16-9+
InChIKey DBGOFKQCEOGWRU-CXUHLZMHSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33110
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: 1912057; SBI_ID: SBI-033114
Synonyms ethyl 5-(4-fluorophenyl)-7-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Temperature 306 °C