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Dibenzyl 2-{ 4'-( 5''-Chloro-2''-oxo-1'',2''-dihydropyrimidin-1''-yl)methoxymethyl]benzamido}-3-pentanedioate
SpectraBase Compound ID KlejgbVa73q
InChI InChI=1S/C32H30ClN3O7/c33-27-17-34-32(40)36(18-27)22-41-19-25-11-13-26(14-12-25)30(38)35-28(31(39)43-21-24-9-5-2-6-10-24)15-16-29(37)42-20-23-7-3-1-4-8-23/h1-14,17-18,28H,15-16,19-22H2,(H,35,38)
InChIKey XJOKDXSCVOAEPQ-UHFFFAOYSA-N
Mol Weight 604.1 g/mol
Molecular Formula C32H30ClN3O7
Exact Mass 603.177228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITZWTbxriY1
Name Dibenzyl 2-{ 4'-( 5''-Chloro-2''-oxo-1'',2''-dihydropyrimidin-1''-yl)methoxymethyl]benzamido}-3-pentanedioate
Alternate Name(s) dibenzyl 2-[(4-{[(5-chloro-2-oxo-1(2H)-pyrimidinyl)methoxy]methyl}benzoyl)amino]pentanedioate Dibenzyl 2-{4'-(5''-chloro-2''-oxo-1'',2''-dihydropyrimidin-1''-yl)methoxymethyl]benzamido}-3-pentanedioate Dibenzyl 2-{4'-(5''-Chloro-2''-oxo-1'',2''-dihydropyrimidin-1''-ylmethoxy)methyl]benzamido}pentanedioate
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Formula C32H30ClN3O7
InChI InChI=1S/C32H30ClN3O7/c33-27-17-34-32(40)36(18-27)22-41-19-25-11-13-26(14-12-25)30(38)35-28(31(39)43-21-24-9-5-2-6-10-24)15-16-29(37)42-20-23-7-3-1-4-8-23/h1-14,17-18,28H,15-16,19-22H2,(H,35,38)
InChIKey XJOKDXSCVOAEPQ-UHFFFAOYSA-N
Molecular Weight 604.059 g/mol
SMILES N(C(c1ccc(cc1)COCN1C(N=CC(=C1)Cl)=O)=O)C(C(OCc1ccccc1)=O)CCC(=O)OCc1ccccc1
SPLASH splash10-0006-7900000000-3aaeae0a0d385388e55a
Source of Spectrum SB-46-1206-4
Wiley ID 810302