| SpectraBase Compound ID | CKjxn9HvtLF |
|---|---|
| InChI | InChI=1S/C12H20O2/c1-5-6-7-9-8-10(9)11(13)14-12(2,3)4/h8,10H,5-7H2,1-4H3 |
| InChIKey | ZWXXWKZRZBRPLA-UHFFFAOYSA-N |
| Mol Weight | 196.29 g/mol |
| Molecular Formula | C12H20O2 |
| Exact Mass | 196.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DYYRhKtjgFN |
|---|---|
| Name | T-Butyl 2-(N-butyl)cycloprop-2-en-1-carboxylate isomer |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.146329882 u |
| Formula | C12H20O2 |
| InChI | InChI=1S/C12H20O2/c1-5-6-7-9-8-10(9)11(13)14-12(2,3)4/h8,10H,5-7H2,1-4H3 |
| InChIKey | ZWXXWKZRZBRPLA-UHFFFAOYSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | C=1C(C(OC(C)(C)C)=O)C1CCCC |