Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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结构与身份
- 标准SMILES
- CCCCC(=O)Cc1ccccc1
- InChIKey
- DYQAZJQDLPPHNB-UHFFFAOYSA-N
- 分子式
- C12H16O
- 平均分子量
- 176.259 g/mol
- 单同位素质量
- 176.12011513
扩展信息尚未完成同步。
REACTIONS
参与反应
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