![5,5'-(1,4-Phenylenebis(2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6,5-diyl))bis(pyrimidine-2,4,6(1H,3H,5H)-trione)](/api/spectrum/FM8WLR7wGP2/structure.png?h=300&w=458 "5,5'-(1,4-Phenylenebis(2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6,5-diyl))bis(pyrimidine-2,4,6(1H,3H,5H)-trione)")
| SpectraBase Compound ID | Jz6ib5k7zsr |
|---|---|
| InChI | InChI=1S/C26H16N10O10/c37-17-9-7(11-19(39)33-25(45)34-20(11)40)13(27-15(9)29-23(43)31-17)5-1-2-6(4-3-5)14-8(12-21(41)35-26(46)36-22(12)42)10-16(28-14)30-24(44)32-18(10)38/h1-4,11-12H,(H3,27,29,31,37,43)(H3,28,30,32,38,44)(H2,33,34,39,40,45)(H2,35,36,41,42,46) |
| InChIKey | DVYSUKTULOSRKF-UHFFFAOYSA-N |
| Mol Weight | 628.47 g/mol |
| Molecular Formula | C26H16N10O10 |
| Exact Mass | 628.105087 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FM8WLR7wGP2 |
|---|---|
| Name | 5,5'-(1,4-Phenylenebis(2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6,5-diyl))bis(pyrimidine-2,4,6(1H,3H,5H)-trione) |
| Appearance | Gray powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H16N10O10 |
| InChI | InChI=1S/C26H16N10O10/c37-17-9-7(11-19(39)33-25(45)34-20(11)40)13(27-15(9)29-23(43)31-17)5-1-2-6(4-3-5)14-8(12-21(41)35-26(46)36-22(12)42)10-16(28-14)30-24(44)32-18(10)38/h1-4,11-12H,(H3,27,29,31,37,43)(H3,28,30,32,38,44)(H2,33,34,39,40,45)(H2,35,36,41,42,46) |
| InChIKey | DVYSUKTULOSRKF-UHFFFAOYSA-N |
| Instrument Name | Agilent 5975C VL MSD |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/jhet.3320 |
| Molecular Weight | 628.474 g/mol |
| Reported Formula | C26H16N10O10 |
| SMILES | N1C(NC(c2c(c(-c3ccc(-c4c(C5C(NC(NC5=O)=O)=O)c5c(NC(NC5=O)=O)[nH]4)cc3)[nH]c12)C1C(NC(NC1=O)=O)=O)=O)=O |
| SPLASH | splash10-014i-5250900000-91da21128041036b3228 |
| Source of Spectrum | Y-55-SM13-5a |
| Wiley ID | 1878908 |