| SpectraBase Compound ID | BWI4yHOAoEF |
|---|---|
| InChI | InChI=1S/C9H12O2/c1-4-5-6-8(2)7-9(10)11-3/h1,7H,5-6H2,2-3H3/b8-7+ |
| InChIKey | SXUNNTYKWKNCLP-BQYQJAHWSA-N |
| Mol Weight | 152.19 g/mol |
| Molecular Formula | C9H12O2 |
| Exact Mass | 152.08373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 64FmpC4H3ol |
|---|---|
| Name | 3-Methyl hept-2-en-6-ynoic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H12O2 |
| InChI | InChI=1S/C9H12O2/c1-4-5-6-8(2)7-9(10)11-3/h1,7H,5-6H2,2-3H3/b8-7+ |
| InChIKey | SXUNNTYKWKNCLP-BQYQJAHWSA-N |
| Molecular Weight | 152.193 g/mol |
| SMILES | C(#C)CC\C(=C\C(=O)OC)C |
| SPLASH | splash10-0006-9200000000-bd982f90f01d4b58fa9c |
| Source of Spectrum | QE-13-129-54 |
| Wiley ID | 1662073 |