![3-[3-BUTENYL-1-(N,N-BIS-(2-CHLOROETHYL)-PHOSPHORDIAMIDATO)]-4-(NITROPHENYL)-OXYACETATE-SODIUM-SALT](/api/spectrum/75JLKmUuvVV/structure.png?h=300&w=458 "3-[3-BUTENYL-1-(N,N-BIS-(2-CHLOROETHYL)-PHOSPHORDIAMIDATO)]-4-(NITROPHENYL)-OXYACETATE-SODIUM-SALT")
| SpectraBase Compound ID | 8thSWsdwLmc |
|---|---|
| InChI | InChI=1S/C16H22Cl2N3O7P.Na/c1-2-3-15(28-29(19,26)20(8-6-17)9-7-18)13-10-12(27-11-16(22)23)4-5-14(13)21(24)25;/h2,4-5,10,15H,1,3,6-9,11H2,(H2,19,26)(H,22,23);/q;+1/p-1 |
| InChIKey | YURVRJUMLBNBOQ-UHFFFAOYSA-M |
| Mol Weight | 492.23 g/mol |
| Molecular Formula | C16H21Cl2N3NaO7P |
| Exact Mass | 491.039187 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 75JLKmUuvVV |
|---|---|
| Name | 3-[3-BUTENYL-1-(N,N-BIS-(2-CHLOROETHYL)-PHOSPHORDIAMIDATO)]-4-(NITROPHENYL)-OXYACETATE-SODIUM-SALT |
| Compound Number | 13B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H21Cl2N3NaO7P |
| InChI | InChI=1S/C16H22Cl2N3O7P.Na/c1-2-3-15(28-29(19,26)20(8-6-17)9-7-18)13-10-12(27-11-16(22)23)4-5-14(13)21(24)25;/h2,4-5,10,15H,1,3,6-9,11H2,(H2,19,26)(H,22,23);/q;+1/p-1 |
| InChIKey | YURVRJUMLBNBOQ-UHFFFAOYSA-M |
| Literature Reference Author | R.REINHARD,B.F.SCHMIDT |
| Literature Reference Citation | J.ORG.CHEM.,63,2434(1998) |
| Literature Reference DOI | 10.1021/jo961861m |
| Solvent | D2O |
| Source File Reference | UWSI28238 |