SpectraBase Compound ID | ExEAz53qWK2 |
---|---|
InChI | InChI=1S/C11H14/c1-9(2)10(3)11-7-5-4-6-8-11/h4-8,10H,1H2,2-3H3 |
InChIKey | JAPAOLCNZLEEAF-UHFFFAOYSA-N |
Mol Weight | 146.23 g/mol |
Molecular Formula | C11H14 |
Exact Mass | 146.10955 g/mol |
SpectraBase Spectrum ID | EYTyCo1Zmfy |
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Name | 2,3-Dimethyl-3-phenyl-1-butene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 146.109550451 u |
Formula | C11H14 |
InChI | InChI=1S/C11H14/c1-9(2)10(3)11-7-5-4-6-8-11/h4-8,10H,1H2,2-3H3 |
InChIKey | JAPAOLCNZLEEAF-UHFFFAOYSA-N |
Molecular Weight | 146.233 g/mol |
SMILES | C=1C=CC(C(C(=C)C)C)=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971433 |