SpectraBase Compound ID | DJmJmi4HcDK |
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InChI | InChI=1S/C11H14/c1-4-10-7-5-6-8-11(10)9(2)3/h5-8H,2,4H2,1,3H3 |
InChIKey | IXTPWSUCILMATH-UHFFFAOYSA-N |
Mol Weight | 146.23 g/mol |
Molecular Formula | C11H14 |
Exact Mass | 146.10955 g/mol |
SpectraBase Spectrum ID | GflJEiKCCjB |
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Name | 1-Ethyl-2-(1-methylethenyl)benzene |
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/c1-4-10-7-5-6-8-11(10)9(2)3/h5-8H,2,4H2,1,3H3 |
InChIKey | IXTPWSUCILMATH-UHFFFAOYSA-N |
Molecular Weight | 146.233 g/mol |
SMILES | C=1(C(=C)C)C(CC)=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940151 |