| SpectraBase Compound ID | KmN0Hl09BnX |
|---|---|
| InChI | InChI=1S/C12H23N/c1-3-4-5-6-7-8-9-10-12(2)11-13/h12H,3-10H2,1-2H3/t12-/m1/s1 |
| InChIKey | AOBQKRPEXFNDAP-GFCCVEGCSA-N |
| Mol Weight | 181.32 g/mol |
| Molecular Formula | C12H23N |
| Exact Mass | 181.18305 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 24W1MeVaCnp |
|---|---|
| Name | (R)-2-Methylundecanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.183049745 u |
| Formula | C12H23N |
| InChI | InChI=1S/C12H23N/c1-3-4-5-6-7-8-9-10-12(2)11-13/h12H,3-10H2,1-2H3/t12-/m1/s1 |
| InChIKey | AOBQKRPEXFNDAP-GFCCVEGCSA-N |
| Molecular Weight | 181.323 g/mol |
| SMILES | C(#N)[C@@](CCCCCCCCC)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925648 |