| SpectraBase Compound ID | CZFNfuS8Mgd |
|---|---|
| InChI | InChI=1S/C7H12/c1-3-5-7-6-4-2/h3-5H2,1-2H3 |
| InChIKey | KLYHSJRCIZOUHE-UHFFFAOYSA-N |
| Mol Weight | 96.17 g/mol |
| Molecular Formula | C7H12 |
| Exact Mass | 96.0939 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EoXIFZdhpAw |
|---|---|
| Name | 3-Heptyne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 96.093900386 u |
| Formula | C7H12 |
| InChI | InChI=1S/C7H12/c1-3-5-7-6-4-2/h3-5H2,1-2H3 |
| InChIKey | KLYHSJRCIZOUHE-UHFFFAOYSA-N |
| Molecular Weight | 96.173 g/mol |
| SMILES | C(#CCC)CCC |
| Spectrum/Structure Validation Score (Raman) | 0.976225 |