| SpectraBase Compound ID | Jr1zwf91c5H |
|---|---|
| InChI | InChI=1S/C11H20O/c1-5-10(4)6-7-11(8-12)9(2)3/h5,8-11H,1,6-7H2,2-4H3/t10-,11+/m0/s1 |
| InChIKey | KTVXDGUSFUBYLU-WDEREUQCSA-N |
| Mol Weight | 168.28 g/mol |
| Molecular Formula | C11H20O |
| Exact Mass | 168.151415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 81mc9uZ0DPx |
|---|---|
| Name | (2S,5R)-2-Isopropyl-5-methylhept-6-enal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.151415263 u |
| Formula | C11H20O |
| InChI | InChI=1S/C11H20O/c1-5-10(4)6-7-11(8-12)9(2)3/h5,8-11H,1,6-7H2,2-4H3/t10-,11+/m0/s1 |
| InChIKey | KTVXDGUSFUBYLU-WDEREUQCSA-N |
| Molecular Weight | 168.280 g/mol |
| SMILES | C(=C)[C@@](CC[C@](C=O)(C(C)C)[H])(C)[H] |