| SpectraBase Compound ID | LJaInDBuYpd |
|---|---|
| InChI | InChI=1S/C9H14/c1-8(2)6-7-9(3,4)5/h1H2,2-5H3 |
| InChIKey | KHPXLOYGMFWVJI-UHFFFAOYSA-N |
| Mol Weight | 122.21 g/mol |
| Molecular Formula | C9H14 |
| Exact Mass | 122.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KIFKHvPowm2 |
|---|---|
| Name | 1-Hexen-3-yne, 2,5,5-trimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 122.109550451 u |
| Formula | C9H14 |
| InChI | InChI=1S/C9H14/c1-8(2)6-7-9(3,4)5/h1H2,2-5H3 |
| InChIKey | KHPXLOYGMFWVJI-UHFFFAOYSA-N |
| Molecular Weight | 122.211 g/mol |
| SMILES | C(#CC(=C)C)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979593 |