SpectraBase Compound ID | 2YU5mzHST1R |
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InChI | InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27) |
InChIKey | FBOZXECLQNJBKD-UHFFFAOYSA-N |
Mol Weight | 454.45 g/mol |
Molecular Formula | C20H22N8O5 |
Exact Mass | 454.171316 g/mol |
SpectraBase Spectrum ID | LRC35wPi50s |
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Name | DL-amethopterin hydrate |
Source of Sample | Aldrich |
Catalog Number | 194697 |
CAS Registry Number | 60388-53-6 |
Classification | 6-membered fused aromatic heterocycles |
Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C20H22N8O5 |
InChI | InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27) |
InChIKey | FBOZXECLQNJBKD-UHFFFAOYSA-N |
Purity | 96% |
Solvent | Nujol |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Technique | Mull |
Wiley ID | SIAL_FTIR_1_2897 |