| SpectraBase Compound ID | KeWYNgCD1rr |
|---|---|
| InChI | InChI=1S/C10H22O2/c1-9(2,3)10(4,12)7-5-6-8-11/h11-12H,5-8H2,1-4H3 |
| InChIKey | OHCCHPGGYUTCAL-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 | GaeaxzzQKcb |
|---|---|
| Name | 5,6,6-Trimethyl-1,5-heptanediol |
| 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/c1-9(2,3)10(4,12)7-5-6-8-11/h11-12H,5-8H2,1-4H3 |
| InChIKey | OHCCHPGGYUTCAL-UHFFFAOYSA-N |
| Molecular Weight | 174.284 g/mol |
| SMILES | C(C(C)(C)C)(O)(CCCCO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961454 |