| SpectraBase Compound ID | B1cvwP5GG2x |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-5-6-8(4)11-9(10)7(2)3/h8H,2,5-6H2,1,3-4H3 |
| InChIKey | QSYOAKOOQMVVTO-UHFFFAOYSA-N |
| Mol Weight | 156.22 g/mol |
| Molecular Formula | C9H16O2 |
| Exact Mass | 156.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4u5KsdjMM0B |
|---|---|
| Name | 2-Propenoic acid, 2-methyl-, 1-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.115029753 u |
| Formula | C9H16O2 |
| InChI | InChI=1S/C9H16O2/c1-5-6-8(4)11-9(10)7(2)3/h8H,2,5-6H2,1,3-4H3 |
| InChIKey | QSYOAKOOQMVVTO-UHFFFAOYSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | C=C(C(=O)OC(CCC)C)C |