| SpectraBase Compound ID | IRE6j08K6gW |
|---|---|
| InChI | InChI=1S/C6H12O2/c1-3-6(2)4-8-5-7/h5-6H,3-4H2,1-2H3 |
| InChIKey | DWORILFBIRYUDC-UHFFFAOYSA-N |
| Mol Weight | 116.16 g/mol |
| Molecular Formula | C6H12O2 |
| Exact Mass | 116.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6pgWl2rkXxL |
|---|---|
| Name | Formic acid, 2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 116.083729624 u |
| Formula | C6H12O2 |
| InChI | InChI=1S/C6H12O2/c1-3-6(2)4-8-5-7/h5-6H,3-4H2,1-2H3 |
| InChIKey | DWORILFBIRYUDC-UHFFFAOYSA-N |
| Molecular Weight | 116.160 g/mol |
| SMILES | CCC(COC=O)C |