| SpectraBase Compound ID | I0y1i2ZC3fY |
|---|---|
| InChI | InChI=1S/C7H8/c1-3-5-7-6-4-2/h1H,5,7H2,2H3 |
| InChIKey | FVXDNACXXMHWSB-UHFFFAOYSA-N |
| Mol Weight | 92.14 g/mol |
| Molecular Formula | C7H8 |
| Exact Mass | 92.0626 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8lnqxp0obEH |
|---|---|
| Name | 1,5-Heptadiyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 92.062600258 u |
| Formula | C7H8 |
| InChI | InChI=1S/C7H8/c1-3-5-7-6-4-2/h1H,5,7H2,2H3 |
| InChIKey | FVXDNACXXMHWSB-UHFFFAOYSA-N |
| Molecular Weight | 92.141 g/mol |
| SMILES | C(#CCCC#C)C |