| SpectraBase Compound ID | CnM5uRXB8jq |
|---|---|
| InChI | InChI=1S/C10H22O/c1-9(2)6-4-5-7-10(3)8-11/h9-11H,4-8H2,1-3H3 |
| InChIKey | FNLOIWOIWFHQSI-UHFFFAOYSA-N |
| Mol Weight | 158.28 g/mol |
| Molecular Formula | C10H22O |
| Exact Mass | 158.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AVjIRDpgNMZ |
|---|---|
| Name | 1-Octanol, 2,7-dimethyl- |
| 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/c1-9(2)6-4-5-7-10(3)8-11/h9-11H,4-8H2,1-3H3 |
| InChIKey | FNLOIWOIWFHQSI-UHFFFAOYSA-N |
| Molecular Weight | 158.285 g/mol |
| SMILES | C(CCCC(C)C)C(CO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.907302 |