| SpectraBase Compound ID | 81Yu0cpiNMN |
|---|---|
| InChI | InChI=1S/C7H12/c1-4-5-6-7(2)3/h4-6H,1-3H3/b5-4+ |
| InChIKey | PRTJSZPCEHPORP-SNAWJCMRSA-N |
| Mol Weight | 96.17 g/mol |
| Molecular Formula | C7H12 |
| Exact Mass | 96.0939 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A76JzsmTQwu |
|---|---|
| Name | 2,4-Hexadiene, 2-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 96.093900386 u |
| Formula | C7H12 |
| InChI | InChI=1S/C7H12/c1-4-5-6-7(2)3/h4-6H,1-3H3/b5-4+ |
| InChIKey | PRTJSZPCEHPORP-SNAWJCMRSA-N |
| Molecular Weight | 96.173 g/mol |
| SMILES | C(=C(C)C)\C=C\C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980597 |