| SpectraBase Compound ID | B5Ci4XMWsYK |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-7-8-9-10-15-13-17(22-4)16(12-11-14(2)3)19(23-5)18(15)20(21)24-6/h11,13H,7-10,12H2,1-6H3 |
| InChIKey | GXYRLSKGHDQKKN-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AVJkF3MXNqJ |
|---|---|
| Name | Methyl 2,4-dimethoxy-3-(3-methylbut-2-en-1-yl)-6-pentylbenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-7-8-9-10-15-13-17(22-4)16(12-11-14(2)3)19(23-5)18(15)20(21)24-6/h11,13H,7-10,12H2,1-6H3 |
| InChIKey | GXYRLSKGHDQKKN-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C1(=C(C(=C(CCCCC)C=C1OC)C(=O)OC)OC)CC=C(C)C |