| SpectraBase Compound ID | 925Pqm1J4bL |
|---|---|
| InChI | InChI=1S/C14H16O2/c1-12-7-6-9-14(11-12)8-4-3-5-10-16-13(2)15/h3-9,11H,10H2,1-2H3/b5-3+,8-4+ |
| InChIKey | JBQWJGWGWDRPAE-MSLMYCKWSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C14H16O2 |
| Exact Mass | 216.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 51tRCtM7KoD |
|---|---|
| Name | (2E,4E)-5-(m-Tolyl)penta-2,4-dien-1-yl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.115029753 u |
| Formula | C14H16O2 |
| InChI | InChI=1S/C14H16O2/c1-12-7-6-9-14(11-12)8-4-3-5-10-16-13(2)15/h3-9,11H,10H2,1-2H3/b5-3+,8-4+ |
| InChIKey | JBQWJGWGWDRPAE-MSLMYCKWSA-N |
| Molecular Weight | 216.280 g/mol |
| SMILES | C=1(C=C(C=CC1)\C=C\C=C\COC(C)=O)C |