| SpectraBase Compound ID | K8Ea9I4nPrW |
|---|---|
| InChI | InChI=1S/C9H13NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-6H2,(H,11,12) |
| InChIKey | YGFXLCAKCKPSQQ-UHFFFAOYSA-N |
| Mol Weight | 167.21 g/mol |
| Molecular Formula | C9H13NO2 |
| Exact Mass | 167.094629 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AzfjI0arYKa |
|---|---|
| Name | 1-cyano-cyclohexaneacetic acid |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H13NO2 |
| InChI | InChI=1S/C9H13NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-6H2,(H,11,12) |
| InChIKey | YGFXLCAKCKPSQQ-UHFFFAOYSA-N |
| Ionization Type | EI |
| Molecular Weight | 167.208 g/mol |
| SMILES | OC(=O)CC1(C#N)CCCCC1 |
| SPLASH | splash10-0a59-3900000000-39fb5d282c65f88dbc58 |
| Source of Spectrum | US8143443B2 |
| Wiley ID | 1845164 |