| SpectraBase Compound ID | AMjacc7tfDR |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-6-7-10(4)12(13)14-11(5)8-9(2)3/h6,9-11H,1,7-8H2,2-5H3 |
| InChIKey | PWISOICVELVVDM-UHFFFAOYSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EvSZiEpI80J |
|---|---|
| Name | 4-Pentenoic acid, 2-methyl-, 4-methyl-2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.161979946 u |
| Formula | C12H22O2 |
| InChI | InChI=1S/C12H22O2/c1-6-7-10(4)12(13)14-11(5)8-9(2)3/h6,9-11H,1,7-8H2,2-5H3 |
| InChIKey | PWISOICVELVVDM-UHFFFAOYSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | C(C(C(OC(CC(C)C)C)=O)C)C=C |