| SpectraBase Compound ID | HFd1BVhG88 |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-4-5-8(2,3)6-7(9)10/h1H,5-6H2,2-3H3,(H,9,10) |
| InChIKey | QNIOGKVSLMRMAK-UHFFFAOYSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CCn6rL7UOQn |
|---|---|
| Name | 3,3-Dimethyl-5-hexynoic Acid |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c1-4-5-8(2,3)6-7(9)10/h1H,5-6H2,2-3H3,(H,9,10) |
| InChIKey | QNIOGKVSLMRMAK-UHFFFAOYSA-N |
| Molecular Weight | 140.182 g/mol |
| SMILES | OC(CC(CC#C)(C)C)=O |
| SPLASH | splash10-0a59-9200000000-b5b7c146536b592e6ce9 |
| Source of Spectrum | J-58-1905-15 |
| Synonyms | 3,3-Dimethylhex-5-ynoic acid |
| Wiley ID | 1139444 |