| SpectraBase Compound ID | 5rTnKRrsqCC |
|---|---|
| InChI | InChI=1S/C10H22O/c1-8(2)6-9(11)7-10(3,4)5/h8-9,11H,6-7H2,1-5H3 |
| InChIKey | ITTQYDBLGDGLMB-UHFFFAOYSA-N |
| Mol Weight | 158.28 g/mol |
| Molecular Formula | C10H22O |
| Exact Mass | 158.167065 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GpBlmbZKSVE |
|---|---|
| Name | 4-Heptanol, 2,2,6-trimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.167065327 u |
| Formula | C10H22O |
| InChI | InChI=1S/C10H22O/c1-8(2)6-9(11)7-10(3,4)5/h8-9,11H,6-7H2,1-5H3 |
| InChIKey | ITTQYDBLGDGLMB-UHFFFAOYSA-N |
| Molecular Weight | 158.285 g/mol |
| SMILES | OC(CC(C)C)CC(C)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.983352 |