| SpectraBase Compound ID | DfuMXIpXTYY |
|---|---|
| InChI | InChI=1S/C8H12/c1-5-7(3)8(4)6-2/h5-6H,1,3H2,2,4H3/b8-6- |
| InChIKey | BGBIBPXAKJKLCY-VURMDHGXSA-N |
| Mol Weight | 108.18 g/mol |
| Molecular Formula | C8H12 |
| Exact Mass | 108.0939 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ev8XcGreAJJ |
|---|---|
| Name | 4-Methyl-3-methylene-1,4-hexadiene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 108.093900386 u |
| Formula | C8H12 |
| InChI | InChI=1S/C8H12/c1-5-7(3)8(4)6-2/h5-6H,1,3H2,2,4H3/b8-6- |
| InChIKey | BGBIBPXAKJKLCY-VURMDHGXSA-N |
| Molecular Weight | 108.184 g/mol |
| SMILES | C(\C(=C/C)C)(C=C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956867 |