| SpectraBase Compound ID | 5hydRJcmdkU |
|---|---|
| InChI | InChI=1S/C12H24/c1-5-6-7-8-9-10-12(4)11(2)3/h5-10H2,1-4H3 |
| InChIKey | MNHWJIBTLGMCTK-UHFFFAOYSA-N |
| Mol Weight | 168.32 g/mol |
| Molecular Formula | C12H24 |
| Exact Mass | 168.187801 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IXISYLAjpec |
|---|---|
| Name | Poly(1-methyl-2-heptylethyne) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.187800773 u |
| Formula | C12H24 |
| InChI | InChI=1S/C12H24/c1-5-6-7-8-9-10-12(4)11(2)3/h5-10H2,1-4H3 |
| InChIKey | MNHWJIBTLGMCTK-UHFFFAOYSA-N |
| Molecular Weight | 168.324 g/mol |
| Nominal Mass | 168 u |
| SMILES | C(CC(=C(C)C)C)CCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.99163 |