![(S)-5-[4'-Chloro-2'-butenyl]-2,5-dihydro-2-isopropyl-3,6-dimethoxypyrazine](/api/spectrum/3zoqKM1YML5/structure.png?h=300&w=458 "(S)-5-[4'-Chloro-2'-butenyl]-2,5-dihydro-2-isopropyl-3,6-dimethoxypyrazine")
| SpectraBase Compound ID | 9HvafWZNGUE |
|---|---|
| InChI | InChI=1S/C13H21ClN2O2/c1-9(2)11-13(18-4)15-10(7-5-6-8-14)12(16-11)17-3/h5-6,9-11H,7-8H2,1-4H3/b6-5+/t10?,11-/m0/s1 |
| InChIKey | WMLVKOCRULLUGT-OSKKZVILSA-N |
| Mol Weight | 272.78 g/mol |
| Molecular Formula | C13H21ClN2O2 |
| Exact Mass | 272.129156 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3zoqKM1YML5 |
|---|---|
| Name | (S)-5-[4'-Chloro-2'-butenyl]-2,5-dihydro-2-isopropyl-3,6-dimethoxypyrazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.129155622 u |
| Formula | C13H21ClN2O2 |
| InChI | InChI=1S/C13H21ClN2O2/c1-9(2)11-13(18-4)15-10(7-5-6-8-14)12(16-11)17-3/h5-6,9-11H,7-8H2,1-4H3/b6-5+/t10?,11-/m0/s1 |
| InChIKey | WMLVKOCRULLUGT-OSKKZVILSA-N |
| SMILES | C1(=N[C@](C(=NC1C\C=C\CCl)OC)(C(C)C)[H])OC |