| SpectraBase Compound ID | GbC8s4CSLQ |
|---|---|
| InChI | InChI=1S/C9H18O/c1-3-9(2)7-5-4-6-8-10/h8-9H,3-7H2,1-2H3/t9-/m0/s1 |
| InChIKey | ANZKSSJWPUCGOP-VIFPVBQESA-N |
| Mol Weight | 142.24 g/mol |
| Molecular Formula | C9H18O |
| Exact Mass | 142.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JpTAMTSk8ca |
|---|---|
| Name | (6S)-6-Methyloctanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.135765199 u |
| Formula | C9H18O |
| InChI | InChI=1S/C9H18O/c1-3-9(2)7-5-4-6-8-10/h8-9H,3-7H2,1-2H3/t9-/m0/s1 |
| InChIKey | ANZKSSJWPUCGOP-VIFPVBQESA-N |
| Molecular Weight | 142.242 g/mol |
| SMILES | C(=O)CCCC[C@](CC)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939207 |