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Methyl 4-(4-((1-(2-chlorobenzyl)-1H-1,2,3-triazol4-yl)methoxy)-3-methoxyphenyl)-6-methyl-2-oxo1,2,3,4-tetrahydropyrimidine-5-carboxylate

View entire compound with spectra: 1 MS (GC)

Methyl 4-(4-((1-(2-chlorobenzyl)-1H-1,2,3-triazol4-yl)methoxy)-3-methoxyphenyl)-6-methyl-2-oxo1,2,3,4-tetrahydropyrimidine-5-carboxylate
SpectraBase Compound ID BEDtOrR9m4i
InChI InChI=1S/C24H24ClN5O5/c1-14-21(23(31)34-3)22(27-24(32)26-14)15-8-9-19(20(10-15)33-2)35-13-17-12-30(29-28-17)11-16-6-4-5-7-18(16)25/h4-10,12,22H,11,13H2,1-3H3,(H2,26,27,32)
InChIKey SZNFBLOUYHSLDO-UHFFFAOYSA-N
Mol Weight 497.94 g/mol
Molecular Formula C24H24ClN5O5
Exact Mass 497.146597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xGPg2xvCHK
Name Methyl 4-(4-((1-(2-chlorobenzyl)-1H-1,2,3-triazol4-yl)methoxy)-3-methoxyphenyl)-6-methyl-2-oxo1,2,3,4-tetrahydropyrimidine-5-carboxylate
Appearance Light yellow solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 497.146596588 u
Formula C24H24ClN5O5
InChI InChI=1S/C24H24ClN5O5/c1-14-21(23(31)34-3)22(27-24(32)26-14)15-8-9-19(20(10-15)33-2)35-13-17-12-30(29-28-17)11-16-6-4-5-7-18(16)25/h4-10,12,22H,11,13H2,1-3H3,(H2,26,27,32)
InChIKey SZNFBLOUYHSLDO-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202300054
Molecular Weight 497.939 g/mol
Quality 828
SMILES N1C(NC(C(C(=O)OC)=C1C)C=1C=CC(=C(C1)OC)OCC=1N=NN(C1)CC1=CC=CC=C1Cl)=O
SPLASH splash10-004i-2930000000-197bba26ae310b5d9593
Source of Spectrum CBD-20-SM29-9g (DOI: 10.1002/cbdv.202300054)
Thin-Layer Chromatography 0.78 (Petroleum ether/Ethyl acetate, 0.5:1), 0.85 (Chloroform/Methanol, 1:0.05)
Wiley ID 1911309