| SpectraBase Compound ID | 7SHAzktyK8u |
|---|---|
| InChI | InChI=1S/C10H22O2/c1-7(2)5-9(11)10(12)6-8(3)4/h7-12H,5-6H2,1-4H3 |
| InChIKey | HPRSOXGGWVGLMW-UHFFFAOYSA-N |
| Mol Weight | 174.28 g/mol |
| Molecular Formula | C10H22O2 |
| Exact Mass | 174.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LM8pQlXmJTZ |
|---|---|
| Name | 4,5-Octanediol, 2,7-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.161979946 u |
| Formula | C10H22O2 |
| InChI | InChI=1S/C10H22O2/c1-7(2)5-9(11)10(12)6-8(3)4/h7-12H,5-6H2,1-4H3 |
| InChIKey | HPRSOXGGWVGLMW-UHFFFAOYSA-N |
| Molecular Weight | 174.284 g/mol |
| SMILES | C(O)(C(O)CC(C)C)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948043 |