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allyl (2Z)-2-[4-(acetyloxy)-3-ethoxybenzylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

View entire compound with spectra: 2 NMR

allyl (2Z)-2-[4-(acetyloxy)-3-ethoxybenzylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID H4cHKVNXvjj
InChI InChI=1S/C28H26N2O6S/c1-5-14-35-27(33)24-17(3)29-28-30(25(24)20-10-8-7-9-11-20)26(32)23(37-28)16-19-12-13-21(36-18(4)31)22(15-19)34-6-2/h5,7-13,15-16,25H,1,6,14H2,2-4H3/b23-16-
InChIKey YIOYFMMKDUAMKW-KQWNVCNZSA-N
Mol Weight 518.58 g/mol
Molecular Formula C28H26N2O6S
Exact Mass 518.151158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AlhmbSH4MvK
Name Allyl (2Z)-2-[4-(acetyloxy)-3-ethoxybenzylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 518.151157733 u
Formula C28H26N2O6S
InChI InChI=1S/C28H26N2O6S/c1-5-14-35-27(33)24-17(3)29-28-30(25(24)20-10-8-7-9-11-20)26(32)23(37-28)16-19-12-13-21(36-18(4)31)22(15-19)34-6-2/h5,7-13,15-16,25H,1,6,14H2,2-4H3/b23-16-
InChIKey YIOYFMMKDUAMKW-KQWNVCNZSA-N
Molecular Weight 518.584 g/mol
SMILES C=1C=CC(C2C(=C(C)N=C3N2C(\C(=C\C=2C=C(OCC)C(=CC2)OC(=O)C)S3)=O)C(=O)OCC=C)=CC1