| SpectraBase Compound ID | hV3dmZAL1r |
|---|---|
| InChI | InChI=1S/C6H10/c1-4-5-6(2)3/h1,6H,5H2,2-3H3 |
| InChIKey | OXRWICUICBZVAE-UHFFFAOYSA-N |
| Mol Weight | 82.15 g/mol |
| Molecular Formula | C6H10 |
| Exact Mass | 82.07825 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KyJsiaB2Dct |
|---|---|
| Name | 4-Methyl-1-pentyne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 82.078250322 u |
| Formula | C6H10 |
| InChI | InChI=1S/C6H10/c1-4-5-6(2)3/h1,6H,5H2,2-3H3 |
| InChIKey | OXRWICUICBZVAE-UHFFFAOYSA-N |
| Molecular Weight | 82.146 g/mol |
| SMILES | CC(CC#C)C |
| Spectrum/Structure Validation Score (Raman) | 0.977416 |