| SpectraBase Compound ID | Ec1Z1UHncgd |
|---|---|
| InChI | InChI=1S/C19H20N8O5.O/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29;/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27);/t12-;/m0./s1 |
| InChIKey | DNYCJYIPAAQHAO-YDALLXLXSA-N |
| Mol Weight | 456.42 g/mol |
| Molecular Formula | C19H20N8O6 |
| Exact Mass | 456.15058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | XxYWMDBYgM |
|---|---|
| Name | Aminopterin hydrate |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 862274 |
| CAS Registry Number | 54-62-6 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H20N8O6 |
| InChI | InChI=1S/C19H20N8O5.O/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29;/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27);/t12-;/m0./s1 |
| InChIKey | DNYCJYIPAAQHAO-YDALLXLXSA-N |
| Observed nucleus | 13C |
| Purity | 97% |
| Solvent | D2O & NaOD |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | 4-Aminofolic acid 4-Amino-PGA Aminopterine |
| Wiley ID | SIAL_13CNMR_010586 |