| SpectraBase Compound ID | Itpk4NaGFUH |
|---|---|
| InChI | InChI=1S/C10H22O2/c1-9(2,11)7-5-6-8-10(3,4)12/h11-12H,5-8H2,1-4H3 |
| InChIKey | LZMSJLJRUYKOQD-UHFFFAOYSA-N |
| Mol Weight | 174.28 g/mol |
| Molecular Formula | C10H22O2 |
| Exact Mass | 174.16198 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HpIU7TcUaSB |
|---|---|
| Name | 2,7-Dimethyl-2,7-octanediol |
| 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(2,11)7-5-6-8-10(3,4)12/h11-12H,5-8H2,1-4H3 |
| InChIKey | LZMSJLJRUYKOQD-UHFFFAOYSA-N |
| Molecular Weight | 174.284 g/mol |
| SMILES | OC(CCCCC(C)(O)C)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.933871 |