| SpectraBase Compound ID | 7rZEtwUWNyC |
|---|---|
| InChI | InChI=1S/C12H18N2O2/c1-6-7-9-11(15-4)14-10(8(2)3)12(13-9)16-5/h1,8-10H,7H2,2-5H3/t9-,10+/m0/s1 |
| InChIKey | ZUWODPBTTHSIIL-VHSXEESVSA-N |
| Mol Weight | 222.29 g/mol |
| Molecular Formula | C12H18N2O2 |
| Exact Mass | 222.136828 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BRWMRZULyrz |
|---|---|
| Name | (2R,5S)-2-Isopropyl-3,6-dimethoxy-5-prop-2-ynyl-2,5-dihydro-pyrazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.136827826 u |
| Formula | C12H18N2O2 |
| InChI | InChI=1S/C12H18N2O2/c1-6-7-9-11(15-4)14-10(8(2)3)12(13-9)16-5/h1,8-10H,7H2,2-5H3/t9-,10+/m0/s1 |
| InChIKey | ZUWODPBTTHSIIL-VHSXEESVSA-N |
| Molecular Weight | 222.288 g/mol |
| SMILES | C1(=N[C@@](C(=N[C@]1(CC#C)[H])OC)(C(C)C)[H])OC |