| SpectraBase Compound ID | EiCA0zD3MiS |
|---|---|
| InChI | InChI=1S/C7H10O2/c1-3-4-6(2)5-7(8)9/h1,6H,4-5H2,2H3,(H,8,9) |
| InChIKey | DIUHTOFCLNJULK-UHFFFAOYSA-N |
| Mol Weight | 126.15 g/mol |
| Molecular Formula | C7H10O2 |
| Exact Mass | 126.06808 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FJyCIhxfvBw |
|---|---|
| Name | 3-Methyl-5-hexynoic Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H10O2 |
| InChI | InChI=1S/C7H10O2/c1-3-4-6(2)5-7(8)9/h1,6H,4-5H2,2H3,(H,8,9) |
| InChIKey | DIUHTOFCLNJULK-UHFFFAOYSA-N |
| Molecular Weight | 126.155 g/mol |
| SMILES | OC(CC(CC#C)C)=O |
| SPLASH | splash10-0006-9100000000-5af0465523ee9877ddda |
| Source of Spectrum | J-58-1905-15 |
| Synonyms | 3-Methylhex-5-ynoic acid |
| Wiley ID | 1129968 |