| SpectraBase Compound ID | 5d0M80Fyj3i |
|---|---|
| InChI | InChI=1S/C18H29Br2N4O7P/c1-2-13-29-18(25)16(21)5-3-4-10-22-32(28,23(11-8-19)12-9-20)30-14-15-6-7-17(31-15)24(26)27/h2,6-7,16H,1,3-5,8-14,21H2,(H,22,28) |
| InChIKey | ZFKMQCAQLSGJLC-UHFFFAOYSA-N |
| Mol Weight | 604.23 g/mol |
| Molecular Formula | C18H29Br2N4O7P |
| Exact Mass | 602.014062 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FcX1RiwEj6O |
|---|---|
| Name | (5-NITRO-2-FURYL)-METHYL-N(EPSILON)-(O-ALLYLLYSYL)-N,N-BIS-(2-BROMOETHYL)-PHOSPHORODIAMIDATE |
| Compound Number | 9A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H29Br2N4O7P |
| InChI | InChI=1S/C18H29Br2N4O7P/c1-2-13-29-18(25)16(21)5-3-4-10-22-32(28,23(11-8-19)12-9-20)30-14-15-6-7-17(31-15)24(26)27/h2,6-7,16H,1,3-5,8-14,21H2,(H,22,28) |
| InChIKey | ZFKMQCAQLSGJLC-UHFFFAOYSA-N |
| Literature Reference Author | G.STEINBERG,R.F.BORCH |
| Literature Reference Citation | J.MED.CHEM.,44,69(2001) |
| Literature Reference DOI | 10.1021/jm000306g |
| Solvent | CDCl3 |
| Source File Reference | UWSI43924 |