| SpectraBase Compound ID | IQXW95GZ95N |
|---|---|
| InChI | InChI=1S/C24H30N8O5/c1-4-36-18(33)11-10-17(23(35)37-5-2)29-22(34)14-6-8-16(9-7-14)32(3)13-15-12-27-21-19(28-15)20(25)30-24(26)31-21/h6-9,12,17H,4-5,10-11,13H2,1-3H3,(H,29,34)(H4,25,26,27,30,31) |
| InChIKey | MZRRIAJJDAPQRO-UHFFFAOYSA-N |
| Mol Weight | 510.56 g/mol |
| Molecular Formula | C24H30N8O5 |
| Exact Mass | 510.233916 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L3RCD5VBNHD |
|---|---|
| Name | Amethopterin diethyl ester |
| CAS Registry Number | 43170-88-3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C24H30N8O5 |
| InChI | InChI=1S/C24H30N8O5/c1-4-36-18(33)11-10-17(23(35)37-5-2)29-22(34)14-6-8-16(9-7-14)32(3)13-15-12-27-21-19(28-15)20(25)30-24(26)31-21/h6-9,12,17H,4-5,10-11,13H2,1-3H3,(H,29,34)(H4,25,26,27,30,31) |
| InChIKey | MZRRIAJJDAPQRO-UHFFFAOYSA-N |
| Instrument Name | Bruker AM-270 |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO-D6 |