| SpectraBase Compound ID | 7hTtfuuZMxB |
|---|---|
| InChI | InChI=1S/C9H14/c1-5-7-9(4)8(3)6-2/h5-7,9H,2-3H2,1,4H3/b7-5+/t9-/m0/s1 |
| InChIKey | QALLNIPWLQZOKK-IWGCBNPKSA-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 | 4kL3RokL46g |
|---|---|
| Name | (4S,5E)-4-Methyl-3-methylene-hepta-1,5-diene |
| 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/c1-5-7-9(4)8(3)6-2/h5-7,9H,2-3H2,1,4H3/b7-5+/t9-/m0/s1 |
| InChIKey | QALLNIPWLQZOKK-IWGCBNPKSA-N |
| Molecular Weight | 122.211 g/mol |
| SMILES | C(C=C)(=C)[C@](\C=C\C)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.893852 |