| SpectraBase Compound ID | BOaYcM3ydDS |
|---|---|
| InChI | InChI=1S/C11H13N3O6S/c1-21-5-4-9(11(15)16)12-8-3-2-7(13(17)18)6-10(8)14(19)20/h2-3,6,9,12H,4-5H2,1H3,(H,15,16)/t9-/m0/s1 |
| InChIKey | DOHZIJDJOSBJFP-VIFPVBQESA-N |
| Mol Weight | 315.3 g/mol |
| Molecular Formula | C11H13N3O6S |
| Exact Mass | 315.052506 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L57RwaxSUG8 |
|---|---|
| Name | dl-Methionine, N-(2,4-dinitrophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.052506319 u |
| Formula | C11H13N3O6S |
| InChI | InChI=1S/C11H13N3O6S/c1-21-5-4-9(11(15)16)12-8-3-2-7(13(17)18)6-10(8)14(19)20/h2-3,6,9,12H,4-5H2,1H3,(H,15,16)/t9-/m0/s1 |
| InChIKey | DOHZIJDJOSBJFP-VIFPVBQESA-N |
| Molecular Weight | 315.300 g/mol |
| SMILES | C1(=C(C=C(C=C1)N(=O)=O)N(=O)=O)N[C@](C(=O)O)(CCSC)[H] |