| SpectraBase Compound ID | 57zqac4Cs2Z |
|---|---|
| InChI | InChI=1S/C16H26/c1-3-5-6-8-12-15(11-4-2)16-13-9-7-10-14-16/h7,9-10,13-15H,3-6,8,11-12H2,1-2H3 |
| InChIKey | QTDBKYLPIZUTFN-UHFFFAOYSA-N |
| Mol Weight | 218.38 g/mol |
| Molecular Formula | C16H26 |
| Exact Mass | 218.203451 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 81uGSqjUECE |
|---|---|
| Name | Benzene, (1-propylheptyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.203450837 u |
| Formula | C16H26 |
| InChI | InChI=1S/C16H26/c1-3-5-6-8-12-15(11-4-2)16-13-9-7-10-14-16/h7,9-10,13-15H,3-6,8,11-12H2,1-2H3 |
| InChIKey | QTDBKYLPIZUTFN-UHFFFAOYSA-N |
| Molecular Weight | 218.384 g/mol |
| SMILES | C(C(CCC)C1=CC=CC=C1)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937597 |