| SpectraBase Compound ID | Gpop2gkKQPK |
|---|---|
| InChI | InChI=1S/C9H17NO/c1-3-5-9(11,6-4-2)7-8-10/h11H,3-7H2,1-2H3 |
| InChIKey | ZKSINBNVVNDRLF-UHFFFAOYSA-N |
| Mol Weight | 155.24 g/mol |
| Molecular Formula | C9H17NO |
| Exact Mass | 155.131014 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GnG9voZXVfo |
|---|---|
| Name | 3-Hydroxy-3-propylhexanenitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H17NO |
| InChI | InChI=1S/C9H17NO/c1-3-5-9(11,6-4-2)7-8-10/h11H,3-7H2,1-2H3 |
| InChIKey | ZKSINBNVVNDRLF-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1021/acs.joc.6b00116 |
| Molecular Weight | 155.241 g/mol |
| SMILES | OC(CC#N)(CCC)CCC |
| SPLASH | splash10-00di-9200000000-9e63f774881ee179a656 |
| Source of Spectrum | J-81-3166-3g |
| Wiley ID | 1804426 |