| SpectraBase Compound ID | L20TG7l5KiX |
|---|---|
| InChI | InChI=1S/C12H18O3/c1-9-5-6-10(14-9)7-8-11(13)15-12(2,3)4/h5-6H,7-8H2,1-4H3 |
| InChIKey | KHPLJIYEEAWIRF-UHFFFAOYSA-N |
| Mol Weight | 210.27 g/mol |
| Molecular Formula | C12H18O3 |
| Exact Mass | 210.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 61qC2MMcgaN |
|---|---|
| Name | Tert-butyl-3-(5-methylfuran-2-yl)propanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.125594437 u |
| Formula | C12H18O3 |
| InChI | InChI=1S/C12H18O3/c1-9-5-6-10(14-9)7-8-11(13)15-12(2,3)4/h5-6H,7-8H2,1-4H3 |
| InChIKey | KHPLJIYEEAWIRF-UHFFFAOYSA-N |
| Molecular Weight | 210.273 g/mol |
| SMILES | C(CCC=1OC(=CC1)C)(=O)OC(C)(C)C |