| SpectraBase Compound ID | 5AMtvUdzdMN |
|---|---|
| InChI | InChI=1S/C9H16/c1-5-6-7-9(4)8(2)3/h5-6,8H,4,7H2,1-3H3/b6-5+ |
| InChIKey | KKKHJDOOIQCWIL-AATRIKPKSA-N |
| Mol Weight | 124.23 g/mol |
| Molecular Formula | C9H16 |
| Exact Mass | 124.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ILvRRypi3Gf |
|---|---|
| Name | (4E)-2-Isopropylhexa-1,4-diene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.125200515 u |
| Formula | C9H16 |
| InChI | InChI=1S/C9H16/c1-5-6-7-9(4)8(2)3/h5-6,8H,4,7H2,1-3H3/b6-5+ |
| InChIKey | KKKHJDOOIQCWIL-AATRIKPKSA-N |
| Molecular Weight | 124.227 g/mol |
| SMILES | C(=C)(C(C)C)C\C=C\C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957451 |