| SpectraBase Compound ID | 8rmdaUiMDnA |
|---|---|
| InChI | InChI=1S/C9H18O2/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3,(H,10,11) |
| InChIKey | OILUAKBAMVLXGF-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 | BtAuMKrCw02 |
|---|---|
| Name | 3,5,5-Trimethylhexanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H18O2 |
| InChI | InChI=1S/C9H18O2/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3,(H,10,11) |
| InChIKey | OILUAKBAMVLXGF-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 158.241 g/mol |
| SMILES | OC(=O)CC(C)CC(C)(C)C |
| SPLASH | splash10-0a4i-9000000000-6655d7e6420dc39fd3e0 |
| Source of Spectrum | SRH-2022-8480-0 |
| Wiley ID | 1830177 |