| SpectraBase Compound ID | 2vGJ3QbhTOT |
|---|---|
| InChI | InChI=1S/C13H14N4O7/c1-6-12(18)15-9(13(19)14-6)4-7-3-8(16(20)21)5-10(17(22)23)11(7)24-2/h3,5-6,9H,4H2,1-2H3,(H,14,19)(H,15,18)/t6-,9-/m0/s1 |
| InChIKey | FGWARHNVZDZJFU-RCOVLWMOSA-N |
| Mol Weight | 338.28 g/mol |
| Molecular Formula | C13H14N4O7 |
| Exact Mass | 338.086249 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6j2sgqpjxAu |
|---|---|
| Name | 3S-(2-METHOXY-3,5-DINITROBENZYL)-6S-METHYL-PIPERAZINE-2,5-DIONE |
| Compound Number | LL-14 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C13H14N4O7/c1-6-12(18)15-9(13(19)14-6)4-7-3-8(16(20)21)5-10(17(22)23)11(7)24-2/h3,5-6,9H,4H2,1-2H3,(H,14,19)(H,15,18)/t6-,9-/m0/s1 |
| InChIKey | FGWARHNVZDZJFU-RCOVLWMOSA-N |
| Literature Reference | S.N.DANTHI,R.A.HILL J.HETCYCL.CHEM.,34,835(1997) |
| Solvent | Dimethyl sulfoxide-d6 |