SpectraBase Compound ID | CwDMMZHb9Bd |
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InChI | InChI=1S/C14H18/c1-10-7-8-13-12(11(10)2)6-5-9-14(13,3)4/h5-8H,9H2,1-4H3 |
InChIKey | WVVRPGLEZQJUSX-UHFFFAOYSA-N |
Mol Weight | 186.3 g/mol |
Molecular Formula | C14H18 |
Exact Mass | 186.140851 g/mol |
SpectraBase Spectrum ID | HLfHYC3GDHz |
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Name | 1,1,5,6-Tetramethyl-1,2-dihydronaphthalene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 186.140850580 u |
Formula | C14H18 |
InChI | InChI=1S/C14H18/c1-10-7-8-13-12(11(10)2)6-5-9-14(13,3)4/h5-8H,9H2,1-4H3 |
InChIKey | WVVRPGLEZQJUSX-UHFFFAOYSA-N |
Molecular Weight | 186.298 g/mol |
SMILES | C1(CC=CC2=C1C=CC(=C2C)C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.883577 |