| SpectraBase Compound ID | 8hpd5pUPqy3 |
|---|---|
| InChI | InChI=1S/C8H18O2/c1-3-5-8(2,10)6-4-7-9/h9-10H,3-7H2,1-2H3 |
| InChIKey | AJZGLFMCYYLGCC-UHFFFAOYSA-N |
| Mol Weight | 146.23 g/mol |
| Molecular Formula | C8H18O2 |
| Exact Mass | 146.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GIej1el0DyR |
|---|---|
| Name | 4-Methyl-1,4-heptanediol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.130679818 u |
| Formula | C8H18O2 |
| InChI | InChI=1S/C8H18O2/c1-3-5-8(2,10)6-4-7-9/h9-10H,3-7H2,1-2H3 |
| InChIKey | AJZGLFMCYYLGCC-UHFFFAOYSA-N |
| Molecular Weight | 146.230 g/mol |
| SMILES | C(CCC(CCC)(O)C)O |