| SpectraBase Compound ID | 5W59ese97YZ |
|---|---|
| InChI | InChI=1S/C8H12/c1-4-5-6-7-8(2)3/h7H,4H2,1-3H3 |
| InChIKey | FBTSUVPGJYABSC-UHFFFAOYSA-N |
| Mol Weight | 108.18 g/mol |
| Molecular Formula | C8H12 |
| Exact Mass | 108.0939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LvBW8pTIWsb |
|---|---|
| Name | 2-Hepten-4-yne, 2-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 108.093900386 u |
| Formula | C8H12 |
| InChI | InChI=1S/C8H12/c1-4-5-6-7-8(2)3/h7H,4H2,1-3H3 |
| InChIKey | FBTSUVPGJYABSC-UHFFFAOYSA-N |
| Molecular Weight | 108.184 g/mol |
| SMILES | C(C#CCC)=C(C)C |