SpectraBase Compound ID | 8z1FmVlNXNY |
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InChI | InChI=1S/C8H14/c1-7-5-3-4-6-8(7)2/h3,5,7-8H,4,6H2,1-2H3 |
InChIKey | KKDZMSWHDHBHEU-UHFFFAOYSA-N |
Mol Weight | 110.2 g/mol |
Molecular Formula | C8H14 |
Exact Mass | 110.10955 g/mol |
SpectraBase Spectrum ID | EQSJIzd0x8s |
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Name | 3,4-Dimethylcyclohexene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 110.109550451 u |
Formula | C8H14 |
InChI | InChI=1S/C8H14/c1-7-5-3-4-6-8(7)2/h3,5,7-8H,4,6H2,1-2H3 |
InChIKey | KKDZMSWHDHBHEU-UHFFFAOYSA-N |
Molecular Weight | 110.200 g/mol |
SMILES | C=1C(C(C)CCC1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943811 |