| SpectraBase Compound ID | 6Y5TVncxJem |
|---|---|
| InChI | InChI=1S/C14H16O2/c1-2-3-4-5-9-12-16-14(15)13-10-7-6-8-11-13/h6-8,10-11H,2-4,12H2,1H3 |
| InChIKey | MCRORDHWHZAEDD-UHFFFAOYSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C14H16O2 |
| Exact Mass | 216.11503 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3W5vDO50FzS |
|---|---|
| Name | benzoic acid hept-2-ynyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H16O2 |
| InChI | InChI=1S/C14H16O2/c1-2-3-4-5-9-12-16-14(15)13-10-7-6-8-11-13/h6-8,10-11H,2-4,12H2,1H3 |
| InChIKey | MCRORDHWHZAEDD-UHFFFAOYSA-N |
| Molecular Weight | 216.280 g/mol |
| SMILES | C(c1ccccc1)(=O)OCC#CCCCC |
| SPLASH | splash10-0a4i-0900000000-571bc793f51d77f9e6c5 |
| Source of Spectrum | SO-0-70-4 |
| Synonyms | Hept-2-ynyl benzoate |
| Wiley ID | 1541922 |