| SpectraBase Compound ID | E3g2GHhH9c2 |
|---|---|
| InChI | InChI=1S/C10H18/c1-6-7-10(4,5)8-9(2)3/h6-8H,1-5H3/b7-6+ |
| InChIKey | UTYCBMDVKJZGPG-VOTSOKGWSA-N |
| Mol Weight | 138.25 g/mol |
| Molecular Formula | C10H18 |
| Exact Mass | 138.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IhS2ptBN4AA |
|---|---|
| Name | (E)-2,4,4-Trimethyl-2,5-heptadiene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.140850580 u |
| Formula | C10H18 |
| InChI | InChI=1S/C10H18/c1-6-7-10(4,5)8-9(2)3/h6-8H,1-5H3/b7-6+ |
| InChIKey | UTYCBMDVKJZGPG-VOTSOKGWSA-N |
| Molecular Weight | 138.254 g/mol |
| SMILES | C(C(\C=C\C)(C)C)=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964431 |