| SpectraBase Compound ID | GM3FX7kmDSx |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-2-12(14)9-6-10-13(15)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3 |
| InChIKey | QBWSVZLAABDSMD-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 | KWuj1sW8w0D |
|---|---|
| Name | 1-Phenylheptane-1,5-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H16O2 |
| InChI | InChI=1S/C13H16O2/c1-2-12(14)9-6-10-13(15)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3 |
| InChIKey | QBWSVZLAABDSMD-UHFFFAOYSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C(CCCC(CC)=O)(=O)c1ccccc1 |
| SPLASH | splash10-0a4i-2900000000-091f3ae87a5dfc1fe080 |
| Source of Spectrum | X2-57-1463-4 |
| Wiley ID | 1605709 |