| SpectraBase Compound ID | 8W3i3hg7v4E |
|---|---|
| InChI | InChI=1S/C9H18O2/c1-3-5-8(10)7-9(11)6-4-2/h8,10H,3-7H2,1-2H3/t8-/m0/s1 |
| InChIKey | MRCPQWJUIUDGMZ-QMMMGPOBSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C9H18O2 |
| Exact Mass | 158.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6ZGnbNGIESs |
|---|---|
| Name | 4-Nonanone, 6-hydroxy-, (S)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.130679818 u |
| Formula | C9H18O2 |
| InChI | InChI=1S/C9H18O2/c1-3-5-8(10)7-9(11)6-4-2/h8,10H,3-7H2,1-2H3/t8-/m0/s1 |
| InChIKey | MRCPQWJUIUDGMZ-QMMMGPOBSA-N |
| Molecular Weight | 158.241 g/mol |
| SMILES | C(C(=O)CCC)[C@@](O)(CCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934501 |