| SpectraBase Compound ID | NSRO4iANpK |
|---|---|
| InChI | InChI=1S/C12H20/c1-5-7-11(3)9-10-12(4)8-6-2/h5-9,12H,10H2,1-4H3/b7-5+,8-6+,11-9+ |
| InChIKey | PMLPHNAYDCJXTO-NDNIUKBNSA-N |
| Mol Weight | 164.29 g/mol |
| Molecular Formula | C12H20 |
| Exact Mass | 164.156501 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2i2PnbE9hih |
|---|---|
| Name | Decan-2,4,8-triene, 4,7-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.156500644 u |
| Formula | C12H20 |
| InChI | InChI=1S/C12H20/c1-5-7-11(3)9-10-12(4)8-6-2/h5-9,12H,10H2,1-4H3/b7-5+,8-6+,11-9+ |
| InChIKey | PMLPHNAYDCJXTO-NDNIUKBNSA-N |
| Molecular Weight | 164.292 g/mol |
| SMILES | C\C=C\C(C\C=C/(C)\C=C\C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927102 |