| SpectraBase Compound ID | D557BD8WU3i |
|---|---|
| InChI | InChI=1S/C14H24O3/c1-10(15)9-13(16)17-12-7-5-11(6-8-12)14(2,3)4/h11-12H,5-9H2,1-4H3/t11-,12+ |
| InChIKey | DOGXZFFCBOZKFQ-TXEJJXNPSA-N |
| Mol Weight | 240.34 g/mol |
| Molecular Formula | C14H24O3 |
| Exact Mass | 240.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5gcrJ9TXLJS |
|---|---|
| Name | (cis)-4-(T-Butyl)cyclohexyl 3-oxobutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.172544630 u |
| Formula | C14H24O3 |
| InChI | InChI=1S/C14H24O3/c1-10(15)9-13(16)17-12-7-5-11(6-8-12)14(2,3)4/h11-12H,5-9H2,1-4H3/t11-,12+ |
| InChIKey | DOGXZFFCBOZKFQ-TXEJJXNPSA-N |
| Molecular Weight | 240.343 g/mol |
| SMILES | C(CC(=O)C)(O[C@]1(CC[C@@](C(C)(C)C)(CC1)[H])[H])=O |