| SpectraBase Compound ID | 4pTUlgzt0lb |
|---|---|
| InChI | InChI=1S/C24H33N3O12/c1-7-34-19(28)13(20(29)35-8-2)16-25-17(14(21(30)36-9-3)22(31)37-10-4)27-18(26-16)15(23(32)38-11-5)24(33)39-12-6/h13-15H,7-12H2,1-6H3 |
| InChIKey | XAOVEAMDRVELOO-UHFFFAOYSA-N |
| Mol Weight | 555.5 g/mol |
| Molecular Formula | C24H33N3O12 |
| Exact Mass | 555.206424 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3fe1riqq8yR |
|---|---|
| Name | 2,4,6(1H,3H,5H)-s-Triazine-.delta.(sup 2,.alpha.),.delta.(sup 4,.alpha.'),.delta.(sup 6,.alpha.'')-trimalonic acid, hexaethyl ester |
| CAS Registry Number | 39945-18-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H33N3O12 |
| InChI | InChI=1S/C24H33N3O12/c1-7-34-19(28)13(20(29)35-8-2)16-25-17(14(21(30)36-9-3)22(31)37-10-4)27-18(26-16)15(23(32)38-11-5)24(33)39-12-6/h13-15H,7-12H2,1-6H3 |
| InChIKey | XAOVEAMDRVELOO-UHFFFAOYSA-N |
| Molecular Weight | 555.537 g/mol |
| SMILES | CCOC(C(c1nc(C(C(=O)OCC)C(=O)OCC)nc(C(C(=O)OCC)C(=O)OCC)n1)C(=O)OCC)=O |
| SPLASH | splash10-03xr-2048930000-21ccfe76eb04bfc19c1e |
| Source of Spectrum | W5-0-0-0 |
| Synonyms | 2-[4,6-bis(1,3-diethoxy-1,3-dioxopropan-2-yl)-1,3,5-triazin-2-yl]propanedioic acid diethyl ester 2-[4,6-bis(1-carbethoxy-2-ethoxy-2-keto-ethyl)-s-triazin-2-yl]malonic acid diethyl ester Diethyl 2-[4,6-bis(1,3-diethoxy-1,3-dioxopropan-2-yl)-1,3,5-triazin-2-yl]propanedioate Diethyl 2-[4,6-bis(2-ethoxy-1-ethoxycarbonyl-2-oxo-ethyl)-1,3,5-triazin-2-yl]propanedioate Diethyl 2-[4,6-bis[1,3-diethoxy-1,3-bis(oxidanylidene)propan-2-yl]-1,3,5-triazin-2-yl]propanedioate Propanedioic acid, 2,2',2''-(1,3,5-triazine-2,4,6(1H,3H,5H)-trimethylidene)tris-, hexaethyl ester |
| Wiley ID | 1406284 |