| SpectraBase Compound ID | Dnsdmj8T5Y6 |
|---|---|
| InChI | InChI=1S/C9H18O2/c1-4-5-6-9(2,3)7-8(10)11/h4-7H2,1-3H3,(H,10,11) |
| InChIKey | KLRHFTOZNSFIHY-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C9H18O2 |
| Exact Mass | 158.13068 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Kmx80OB8hhX |
|---|---|
| Name | 3,3-Dimethylheptanoic acid |
| CAS Registry Number | 67061-30-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H18O2 |
| InChI | InChI=1S/C9H18O2/c1-4-5-6-9(2,3)7-8(10)11/h4-7H2,1-3H3,(H,10,11) |
| InChIKey | KLRHFTOZNSFIHY-UHFFFAOYSA-N |
| Molecular Weight | 158.241 g/mol |
| SMILES | OC(CC(CCCC)(C)C)=O |
| SPLASH | splash10-0a4i-9100000000-e34f129c1e6133f05e04 |
| Source of Spectrum | NP-1-8709-0 |
| Wiley ID | 1099815 |