| SpectraBase Compound ID | 935qOpivMV2 |
|---|---|
| InChI | InChI=1S/C7H13NO/c1-3-4-5-7(2,9)6-8/h9H,3-5H2,1-2H3/t7-/m0/s1 |
| InChIKey | CTRMPDFUGMJXKE-ZETCQYMHSA-N |
| Mol Weight | 127.19 g/mol |
| Molecular Formula | C7H13NO |
| Exact Mass | 127.099714 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BWuJV4lkxRO |
|---|---|
| Name | (2S)-2-hydroxy-2-methyl-hexanenitrile |
| Alternate Name(s) | (2S)-2-methyl-2-oxidanyl-hexanenitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H13NO |
| InChI | InChI=1S/C7H13NO/c1-3-4-5-7(2,9)6-8/h9H,3-5H2,1-2H3/t7-/m0/s1 |
| InChIKey | CTRMPDFUGMJXKE-ZETCQYMHSA-N |
| Molecular Weight | 127.187 g/mol |
| SMILES | O[C@](C#N)(CCCC)C |
| SPLASH | splash10-05fr-9000000000-97d985ca087bccae371f |
| Source of Spectrum | QC-8-1556-2 |
| Wiley ID | 869990 |