| SpectraBase Compound ID | BT5RHAHsU8C |
|---|---|
| InChI | InChI=1S/C11H16O3/c1-4-6-7-8-10(9(3)12)11(13)14-5-2/h4,7,10H,5,8H2,1-3H3/t6?,10-/m1/s1 |
| InChIKey | ZRKLXSWRVSKTSQ-PHUNFMHTSA-N |
| Mol Weight | 196.25 g/mol |
| Molecular Formula | C11H16O3 |
| Exact Mass | 196.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 486ltJP4S6 |
|---|---|
| Name | 4,5-Heptadienoic acid, 2-acetyl-, ethyl ester, (R*,S*)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.109944372 u |
| Formula | C11H16O3 |
| InChI | InChI=1S/C11H16O3/c1-4-6-7-8-10(9(3)12)11(13)14-5-2/h4,7,10H,5,8H2,1-3H3/t6?,10-/m1/s1 |
| InChIKey | ZRKLXSWRVSKTSQ-PHUNFMHTSA-N |
| Molecular Weight | 196.246 g/mol |
| SMILES | [C@@](C(=O)OCC)(C(=O)C)(CC=C=CC)[H] |