| SpectraBase Compound ID | 7dxzCTDr5ZL |
|---|---|
| InChI | InChI=1S/C10H18O/c1-5-9(4)6-7-10(11)8(2)3/h5,8-9H,1,6-7H2,2-4H3/t9-/m1/s1 |
| InChIKey | YKQHXMHPGBDHLV-SECBINFHSA-N |
| Mol Weight | 154.25 g/mol |
| Molecular Formula | C10H18O |
| Exact Mass | 154.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8OZsw5nEOdR |
|---|---|
| Name | (S)-2,6-Dimethyloct-7-en-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.135765199 u |
| Formula | C10H18O |
| InChI | InChI=1S/C10H18O/c1-5-9(4)6-7-10(11)8(2)3/h5,8-9H,1,6-7H2,2-4H3/t9-/m1/s1 |
| InChIKey | YKQHXMHPGBDHLV-SECBINFHSA-N |
| Molecular Weight | 154.253 g/mol |
| SMILES | C(=O)(CC[C@@](C=C)(C)[H])C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94611 |