| SpectraBase Compound ID | BUBOitnssjL |
|---|---|
| InChI | InChI=1S/C16H24O2/c1-11-6-5-7-14-9-8-13(10-16(11,14)3)12(2)15(17)18-4/h7,11H,5-6,8-10H2,1-4H3/b13-12+/t11-,16+/m1/s1 |
| InChIKey | IQNNVJGAZGSJBO-IAQDNRCKSA-N |
| Mol Weight | 248.37 g/mol |
| Molecular Formula | C16H24O2 |
| Exact Mass | 248.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Y04ALM0tcq |
|---|---|
| Name | Methyl-(E)-eremophila-1-(10),7-(11)-dien-12-oate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.177630011 u |
| Formula | C16H24O2 |
| InChI | InChI=1S/C16H24O2/c1-11-6-5-7-14-9-8-13(10-16(11,14)3)12(2)15(17)18-4/h7,11H,5-6,8-10H2,1-4H3/b13-12+/t11-,16+/m1/s1 |
| InChIKey | IQNNVJGAZGSJBO-IAQDNRCKSA-N |
| Molecular Weight | 248.366 g/mol |
| SMILES | C1C[C@@](C)([C@@]2(C\C(CCC2=C1)=C/(C)C(OC)=O)C)[H] |