| SpectraBase Compound ID | 6gAOF8PYmX8 |
|---|---|
| InChI | InChI=1S/C20H22N8O5.H2O/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);1H2/t13-;/m1./s1 |
| InChIKey | FPJYMUQSRFJSEW-BTQNPOSSSA-N |
| Mol Weight | 472.46 g/mol |
| Molecular Formula | C20H24N8O6 |
| Exact Mass | 472.181881 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | FCG2MkQ1gkW |
|---|---|
| Name | D-Amethopterin hydrate |
| Source of Sample | Aldrich |
| Catalog Number | 223956 |
| CAS Registry Number | 6745-93-3 |
| 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 | C20H24N8O6 |
| InChI | InChI=1S/C20H22N8O5.H2O/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);1H2/t13-;/m1./s1 |
| InChIKey | FPJYMUQSRFJSEW-BTQNPOSSSA-N |
| Purity | 97% |
| Solvent | Nujol |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Technique | Mull |
| Wiley ID | SIAL_FTIR_1_3696 |