Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
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IDENTITY
结构与身份
- 标准SMILES
- O=C(O)CCCCCCCCBr
- InChIKey
- XEGRKZRPTBNSMN-UHFFFAOYSA-N
- 分子式
- C9H17BrO2
- 平均分子量
- 237.137 g/mol
- 单同位素质量
- 236.04119188
扩展信息尚未完成同步。
REACTIONS
参与反应
uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08877774B2
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uspto-grants-1991_10 · 10.6084/m9.figshare.5104873.v1 · US05057524
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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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uspto-grants-1998_06 · 10.6084/m9.figshare.5104873.v1 · US05767088
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uspto-grants-1998_06 · 10.6084/m9.figshare.5104873.v1 · US05767088
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uspto-grants-1997_03 · 10.6084/m9.figshare.5104873.v1 · US05610145
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