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1,3-Bis(5-Benzoyloxypentyl)-5-(tert-butoxymethyl)uracil
SpectraBase Compound ID HvjLeVrXgNT
InChI InChI=1S/C33H42N2O7/c1-33(2,3)42-25-28-24-34(20-12-6-14-22-40-30(37)26-16-8-4-9-17-26)32(39)35(29(28)36)21-13-7-15-23-41-31(38)27-18-10-5-11-19-27/h4-5,8-11,16-19,24H,6-7,12-15,20-23,25H2,1-3H3
InChIKey PQDGWBBXYQGYJU-UHFFFAOYSA-N
Mol Weight 578.7 g/mol
Molecular Formula C33H42N2O7
Exact Mass 578.299202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LRBUyGg0oPL
Name 1,3-Bis(5-Benzoyloxypentyl)-5-(tert-butoxymethyl)uracil
Alternate Name(s) 5-(3-[5-(benzoyloxy)pentyl]-5-(tert-butoxymethyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)pentyl benzoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H42N2O7
InChI InChI=1S/C33H42N2O7/c1-33(2,3)42-25-28-24-34(20-12-6-14-22-40-30(37)26-16-8-4-9-17-26)32(39)35(29(28)36)21-13-7-15-23-41-31(38)27-18-10-5-11-19-27/h4-5,8-11,16-19,24H,6-7,12-15,20-23,25H2,1-3H3
InChIKey PQDGWBBXYQGYJU-UHFFFAOYSA-N
Molecular Weight 578.706 g/mol
SMILES C1(N(C(C(=CN1CCCCCOC(=O)c1ccccc1)COC(C)(C)C)=O)CCCCCOC(=O)c1ccccc1)=O
SPLASH splash10-00di-0000090000-6d6f24f0796795419669
Source of Spectrum H1-34-719-8
Wiley ID 754656