Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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IDENTITY
结构与身份
- 标准SMILES
- Cc1ccc(C)s1
- InChIKey
- GWQOOADXMVQEFT-UHFFFAOYSA-N
- 分子式
- C6H8S
- 平均分子量
- 112.197 g/mol
- 单同位素质量
- 112.03467126
扩展信息尚未完成同步。
REACTIONS
相关反应
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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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uspto-grants-1993_04 · 10.6084/m9.figshare.5104873.v1 · US05200116
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