| SpectraBase Compound ID | 3K5tEb1vVlA |
|---|---|
| InChI | InChI=1S/C16H26O2/c1-5-11(2)8-15(17)18-10-12-6-7-13-9-14(12)16(13,3)4/h6,11,13-14H,5,7-10H2,1-4H3 |
| InChIKey | AMMGLFBUAHGYBC-UHFFFAOYSA-N |
| Mol Weight | 250.38 g/mol |
| Molecular Formula | C16H26O2 |
| Exact Mass | 250.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HEA0aiuz6gM |
|---|---|
| Name | Myrtenyl 3-methylvalerate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.193280075 u |
| Formula | C16H26O2 |
| InChI | InChI=1S/C16H26O2/c1-5-11(2)8-15(17)18-10-12-6-7-13-9-14(12)16(13,3)4/h6,11,13-14H,5,7-10H2,1-4H3 |
| InChIKey | AMMGLFBUAHGYBC-UHFFFAOYSA-N |
| Molecular Weight | 250.382 g/mol |
| SMILES | C(CC(CC)C)(=O)OCC=1C2C(C(C2)CC1)(C)C |