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5-Pyrimidinecarboxylic acid, 6-(bromomethyl)-1,2,3,4-tetrahydro-4-(4-hydroxy-3-methoxyphenyl)-1-methyl-2-oxo-, ethyl ester

View entire compound with spectra: 1 MS (GC)

5-Pyrimidinecarboxylic acid, 6-(bromomethyl)-1,2,3,4-tetrahydro-4-(4-hydroxy-3-methoxyphenyl)-1-methyl-2-oxo-, ethyl ester
SpectraBase Compound ID Icwn1l2oYAh
InChI InChI=1S/C16H19BrN2O5/c1-4-24-15(21)13-10(8-17)19(2)16(22)18-14(13)9-5-6-11(20)12(7-9)23-3/h5-7,14,20H,4,8H2,1-3H3,(H,18,22)
InChIKey YTBHQOCTUUNYRY-UHFFFAOYSA-N
Mol Weight 399.24 g/mol
Molecular Formula C16H19BrN2O5
Exact Mass 398.047735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5haRLPo1OQ4
Name 5-Pyrimidinecarboxylic acid, 6-(bromomethyl)-1,2,3,4-tetrahydro-4-(4-hydroxy-3-methoxyphenyl)-1-methyl-2-oxo-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19BrN2O5
InChI InChI=1S/C16H19BrN2O5/c1-4-24-15(21)13-10(8-17)19(2)16(22)18-14(13)9-5-6-11(20)12(7-9)23-3/h5-7,14,20H,4,8H2,1-3H3,(H,18,22)
InChIKey YTBHQOCTUUNYRY-UHFFFAOYSA-N
Molecular Weight 399.241 g/mol
SMILES N1C(N(C(=C(C1c1ccc(c(c1)OC)O)C(OCC)=O)CBr)C)=O
SPLASH splash10-00kb-3694000000-984bc8306edff775abb8
Source of Spectrum IY-1-4694-4
Synonyms 4-(bromomethyl)-6-(4-hydroxy-3-methoxyphenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Ethyl 4-(bromomethyl)-6-(4-hydroxy-3-methoxyphenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Ethyl 4-(bromomethyl)-6-(4-hydroxy-3-methoxy-phenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Ethyl 4-(bromomethyl)-6-(3-methoxy-4-oxidanyl-phenyl)-3-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate
Wiley ID 1654927