| SpectraBase Compound ID | JdrA5DW8ezD |
|---|---|
| InChI | InChI=1S/C14H20/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13/h4-5,8,11-12H,2-3,6-7,9-10H2,1H3 |
| InChIKey | GCKPJUYBKVPDAU-UHFFFAOYSA-N |
| Mol Weight | 188.31 g/mol |
| Molecular Formula | C14H20 |
| Exact Mass | 188.156501 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6YFM4YDSUAA |
|---|---|
| Name | Butyl - tetralin |
| 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/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13/h4-5,8,11-12H,2-3,6-7,9-10H2,1H3 |
| InChIKey | GCKPJUYBKVPDAU-UHFFFAOYSA-N |
| Molecular Weight | 188.314 g/mol |
| SMILES | C1(CCCC=2C=CC=CC12)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960027 |