| SpectraBase Compound ID | BIsJh6NMPEl |
|---|---|
| InChI | InChI=1S/C12H24O2/c1-4-11(2)9-7-5-6-8-10-12(13)14-3/h11H,4-10H2,1-3H3 |
| InChIKey | IGCINGTWMUZAIE-UHFFFAOYSA-N |
| Mol Weight | 200.32 g/mol |
| Molecular Formula | C12H24O2 |
| Exact Mass | 200.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4us8SHhhvRG |
|---|---|
| Name | Methyl 8-methyl-decanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.177630011 u |
| Formula | C12H24O2 |
| InChI | InChI=1S/C12H24O2/c1-4-11(2)9-7-5-6-8-10-12(13)14-3/h11H,4-10H2,1-3H3 |
| InChIKey | IGCINGTWMUZAIE-UHFFFAOYSA-N |
| Molecular Weight | 200.322 g/mol |
| SMILES | CCC(CCCCCCC(=O)OC)C |