| SpectraBase Compound ID | 3CTCFI9G5KX |
|---|---|
| InChI | InChI=1S/C14H20/c1-3-11-9-10-12(4-2)14-8-6-5-7-13(11)14/h5-8,11-12H,3-4,9-10H2,1-2H3 |
| InChIKey | LJLHOABUGHNJTL-UHFFFAOYSA-N |
| Mol Weight | 188.31 g/mol |
| Molecular Formula | C14H20 |
| Exact Mass | 188.156501 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | T75ZmNHWoA |
|---|---|
| Name | 1,4-Diethyl-1,2,3,4-tetrahydronaphthalene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.156500644 u |
| Formula | C14H20 |
| InChI | InChI=1S/C14H20/c1-3-11-9-10-12(4-2)14-8-6-5-7-13(11)14/h5-8,11-12H,3-4,9-10H2,1-2H3 |
| InChIKey | LJLHOABUGHNJTL-UHFFFAOYSA-N |
| Molecular Weight | 188.314 g/mol |
| SMILES | C=12C=CC=CC1C(CCC2CC)CC |
| Spectrum/Structure Validation Score (Raman) | 0.924158 |