![2-Pentenoic acid, 5-[(1,5-dimethyl-4-hexenyl)oxy]-3-methyl-, ethyl ester, (E)-](/api/spectrum/LQvnmuConDN/structure.png?h=300&w=458 "2-Pentenoic acid, 5-[(1,5-dimethyl-4-hexenyl)oxy]-3-methyl-, ethyl ester, (E)-")
| SpectraBase Compound ID | 5t6sMoiDtx4 |
|---|---|
| InChI | InChI=1S/C16H28O3/c1-6-18-16(17)12-14(4)10-11-19-15(5)9-7-8-13(2)3/h8,12,15H,6-7,9-11H2,1-5H3/b14-12+ |
| InChIKey | RBPZFPNXTKJBDL-WYMLVPIESA-N |
| Mol Weight | 268.4 g/mol |
| Molecular Formula | C16H28O3 |
| Exact Mass | 268.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LQvnmuConDN |
|---|---|
| Name | 2-Pentenoic acid, 5-[(1,5-dimethyl-4-hexenyl)oxy]-3-methyl-, ethyl ester, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.203844759 u |
| Formula | C16H28O3 |
| InChI | InChI=1S/C16H28O3/c1-6-18-16(17)12-14(4)10-11-19-15(5)9-7-8-13(2)3/h8,12,15H,6-7,9-11H2,1-5H3/b14-12+ |
| InChIKey | RBPZFPNXTKJBDL-WYMLVPIESA-N |
| SMILES | C(\C(=C\C(OCC)=O)C)COC(CCC=C(C)C)C |