| SpectraBase Compound ID | U9Ai1awFCr |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-9(2)7-10(3)12(13)15-8-11-5-4-6-14-11/h4-7,10H,8H2,1-3H3/t10-/m0/s1 |
| InChIKey | YKVIJWALKDNPJY-JTQLQIEISA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9F9HE9Crwhx |
|---|---|
| Name | 3-Pentenoic acid, 2,4-dimethyl-, 2-furanylmethyl ester, (S)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-9(2)7-10(3)12(13)15-8-11-5-4-6-14-11/h4-7,10H,8H2,1-3H3/t10-/m0/s1 |
| InChIKey | YKVIJWALKDNPJY-JTQLQIEISA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C([C@](C=C(C)C)(C)[H])(OCC=1OC=CC1)=O |