| SpectraBase Compound ID | 18zUpzQzl9Y |
|---|---|
| InChI | InChI=1S/C12H13NO2/c1-9-7-11(14)8-10(12(9)15)5-3-2-4-6-13/h7-8H,2-5H2,1H3 |
| InChIKey | OPYIVPIOUPDXIZ-UHFFFAOYSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C12H13NO2 |
| Exact Mass | 203.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CzFgce5pH3m |
|---|---|
| Name | 5-Methyl-3-(4-cyanobutyl)benzoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.094628661 u |
| Formula | C12H13NO2 |
| InChI | InChI=1S/C12H13NO2/c1-9-7-11(14)8-10(12(9)15)5-3-2-4-6-13/h7-8H,2-5H2,1H3 |
| InChIKey | OPYIVPIOUPDXIZ-UHFFFAOYSA-N |
| Molecular Weight | 203.241 g/mol |
| SMILES | C=1(C(C(CCCCC#N)=CC(C1)=O)=O)C |