| SpectraBase Compound ID | KZ5dFmB5JKq |
|---|---|
| InChI | InChI=1S/C7H13NO2.C5H8/c9-7(8-10)6-4-2-1-3-5-6;1-3-5-4-2/h6,10H,1-5H2,(H,8,9);3-5H,1H2,2H3/b;5-4+ |
| InChIKey | JSRAQRISPLKOJH-RCKHEGBHSA-N |
| Mol Weight | 211.31 g/mol |
| Molecular Formula | C12H21NO2 |
| Exact Mass | 211.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HwETieM33lp |
|---|---|
| Name | nan |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.157228918 u |
| Formula | C12H21NO2 |
| InChI | InChI=1S/C7H13NO2.C5H8/c9-7(8-10)6-4-2-1-3-5-6;1-3-5-4-2/h6,10H,1-5H2,(H,8,9);3-5H,1H2,2H3/b;5-4+ |
| InChIKey | JSRAQRISPLKOJH-RCKHEGBHSA-N |
| Molecular Weight | 211.305 g/mol |
| Nominal Mass | 211 u |
| SMILES | C\C=C\C=C.N(C(C1CCCCC1)=O)O |