| SpectraBase Compound ID | Az5vEBnMlio |
|---|---|
| InChI | InChI=1S/C9H16/c1-4-5-6-7-8-9(2)3/h9H,4,7-8H2,1-3H3 |
| InChIKey | ZDXUMWBWHSCWBK-UHFFFAOYSA-N |
| Mol Weight | 124.23 g/mol |
| Molecular Formula | C9H16 |
| Exact Mass | 124.125201 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | D4aH9l04xhh |
|---|---|
| Name | 7-Methyl-3-octyne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.125200515 u |
| Formula | C9H16 |
| InChI | InChI=1S/C9H16/c1-4-5-6-7-8-9(2)3/h9H,4,7-8H2,1-3H3 |
| InChIKey | ZDXUMWBWHSCWBK-UHFFFAOYSA-N |
| Molecular Weight | 124.227 g/mol |
| SMILES | C(#CCCC(C)C)CC |
| Spectrum/Structure Validation Score (Raman) | 0.986874 |