| SpectraBase Compound ID | 7XjVVcNcg6K |
|---|---|
| InChI | InChI=1S/C5H10.C4H8.C3H6O2/c1-5(2)3-4-5;1-3-4-2;1-2-5-3-4/h3-4H2,1-2H3;3H,1,4H2,2H3;3H,2H2,1H3 |
| InChIKey | ZNGXUZAIDKBNLF-UHFFFAOYSA-N |
| Mol Weight | 200.32 g/mol |
| Molecular Formula | C12H24O2 |
| Exact Mass | 200.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3vEqyO4pfFD |
|---|---|
| Name | Cyclopropanecarboxylic acid, 3-(3-buten-2-yl)-2,2-dimethyl-, ethyl ester, cis |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.177630011 u |
| Formula | C12H24O2 |
| InChI | InChI=1S/C5H10.C4H8.C3H6O2/c1-5(2)3-4-5;1-3-4-2;1-2-5-3-4/h3-4H2,1-2H3;3H,1,4H2,2H3;3H,2H2,1H3 |
| InChIKey | ZNGXUZAIDKBNLF-UHFFFAOYSA-N |
| Molecular Weight | 200.322 g/mol |
| Nominal Mass | 200 u |
| SMILES | C(C=C)C.C(OCC)=O.C1CC1(C)C |