| SpectraBase Compound ID | B1n7e1DDutS |
|---|---|
| InChI | InChI=1S/C13H14/c1-2-9-3-6-12-10-4-5-11(8-10)13(12)7-9/h3-7,10-11H,2,8H2,1H3 |
| InChIKey | BMIDVTJWPIRDRK-UHFFFAOYSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C13H14 |
| Exact Mass | 170.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EibLU7yMm2 |
|---|---|
| Name | 6-Ethyl-1,4-dihydro-1,4-methanonaphthalene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.109550451 u |
| Formula | C13H14 |
| InChI | InChI=1S/C13H14/c1-2-9-3-6-12-10-4-5-11(8-10)13(12)7-9/h3-7,10-11H,2,8H2,1H3 |
| InChIKey | BMIDVTJWPIRDRK-UHFFFAOYSA-N |
| Molecular Weight | 170.255 g/mol |
| SMILES | C12=C(C3CC2C=C3)C=CC(=C1)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.842359 |