| SpectraBase Compound ID | H5Mdspnbc1B |
|---|---|
| InChI | InChI=1S/C11H18N2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-9H2 |
| InChIKey | ISIQQQYKUPBYSL-UHFFFAOYSA-N |
| Mol Weight | 178.28 g/mol |
| Molecular Formula | C11H18N2 |
| Exact Mass | 178.146999 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Ak5O7H4NucR |
|---|---|
| Name | Undecanedinitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.146998588 u |
| Formula | C11H18N2 |
| InChI | InChI=1S/C11H18N2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-9H2 |
| InChIKey | ISIQQQYKUPBYSL-UHFFFAOYSA-N |
| Molecular Weight | 178.279 g/mol |
| SMILES | C(C#N)CCCCCCCCC#N |
| Spectrum/Structure Validation Score (Raman) | 0.990132 |