SpectraBase Compound ID | 1Qfmv0K4hMc |
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InChI | InChI=1S/C10H12/c1-4-10-6-8(2)5-9(3)7-10/h4-7H,1H2,2-3H3 |
InChIKey | XKMDZVINHIFHLY-UHFFFAOYSA-N |
Mol Weight | 132.21 g/mol |
Molecular Formula | C10H12 |
Exact Mass | 132.0939 g/mol |
SpectraBase Spectrum ID | B8jahnCV4Re |
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Name | Benzene, 1-ethenyl-3,5-dimethyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 132.093900386 u |
Formula | C10H12 |
InChI | InChI=1S/C10H12/c1-4-10-6-8(2)5-9(3)7-10/h4-7H,1H2,2-3H3 |
InChIKey | XKMDZVINHIFHLY-UHFFFAOYSA-N |
Molecular Weight | 132.206 g/mol |
SMILES | C=CC1=CC(C)=CC(=C1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.802691 |