| SpectraBase Compound ID | BshL9rZfzQO |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-2-3-5-10-12(14)13(15)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3 |
| InChIKey | BEBNXVWFUWXUIB-UHFFFAOYSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C13H16O2 |
| Exact Mass | 204.11503 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | rCVhLayyfi |
|---|---|
| Name | 1-Phenylheptane-1,2-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H16O2 |
| InChI | InChI=1S/C13H16O2/c1-2-3-5-10-12(14)13(15)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3 |
| InChIKey | BEBNXVWFUWXUIB-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1039/c5ra03772g |
| Molecular Weight | 204.269 g/mol |
| SMILES | c1ccccc1C(C(=O)CCCCC)=O |
| SPLASH | splash10-0a4i-5900000000-ce6e82eccd3ed9fd601b |
| Source of Spectrum | RSA-5-36652/SM-5aa |
| Wiley ID | 1761409 |