| SpectraBase Compound ID | LxRX78A0kg4 |
|---|---|
| InChI | InChI=1S/C12H23N/c1-5-6-10(2)7-11(3)8-12(4)9-13/h10-12H,5-8H2,1-4H3/t10-,11+,12-/m1/s1 |
| InChIKey | WBAVHDKTSQVFRC-GRYCIOLGSA-N |
| Mol Weight | 181.32 g/mol |
| Molecular Formula | C12H23N |
| Exact Mass | 181.18305 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6OBnljF6XNn |
|---|---|
| Name | (2R,4S,6R)-2,4,6-Trimethylnonanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.183049745 u |
| Formula | C12H23N |
| InChI | InChI=1S/C12H23N/c1-5-6-10(2)7-11(3)8-12(4)9-13/h10-12H,5-8H2,1-4H3/t10-,11+,12-/m1/s1 |
| InChIKey | WBAVHDKTSQVFRC-GRYCIOLGSA-N |
| Molecular Weight | 181.323 g/mol |
| SMILES | C(#N)[C@@](C[C@](C[C@@](CCC)(C)[H])(C)[H])(C)[H] |