| SpectraBase Compound ID | Fz9OPAhcoP5 |
|---|---|
| InChI | InChI=1S/C10H18O3/c1-6-8(9(11)12-5)7-13-10(2,3)4/h6H,7H2,1-5H3/b8-6+ |
| InChIKey | JPNGVVSFNSWXBP-SOFGYWHQSA-N |
| Mol Weight | 186.25 g/mol |
| Molecular Formula | C10H18O3 |
| Exact Mass | 186.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4lDUbA6XFZv |
|---|---|
| Name | (E)-2-(Tert-butoxymethyl)but-2-enoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.125594437 u |
| Formula | C10H18O3 |
| InChI | InChI=1S/C10H18O3/c1-6-8(9(11)12-5)7-13-10(2,3)4/h6H,7H2,1-5H3/b8-6+ |
| InChIKey | JPNGVVSFNSWXBP-SOFGYWHQSA-N |
| Molecular Weight | 186.251 g/mol |
| SMILES | C(\C(COC(C)(C)C)=C\C)(=O)OC |