| SpectraBase Compound ID | 99c126gMR1O |
|---|---|
| InChI | InChI=1S/C18H34O2/c1-3-5-7-9-10-11-12-13-15-17-20-18(19)16-14-8-6-4-2/h14,16H,3-13,15,17H2,1-2H3/b16-14+ |
| InChIKey | VEFNIHQMFQCDGD-JQIJEIRASA-N |
| Mol Weight | 282.5 g/mol |
| Molecular Formula | C18H34O2 |
| Exact Mass | 282.25588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BtznfFv7YGz |
|---|---|
| Name | 2-Heptenoic acid, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.255880333 u |
| Formula | C18H34O2 |
| InChI | InChI=1S/C18H34O2/c1-3-5-7-9-10-11-12-13-15-17-20-18(19)16-14-8-6-4-2/h14,16H,3-13,15,17H2,1-2H3/b16-14+ |
| InChIKey | VEFNIHQMFQCDGD-JQIJEIRASA-N |
| Molecular Weight | 282.468 g/mol |
| SMILES | C(\C=C\C(OCCCCCCCCCCC)=O)CCC |