| SpectraBase Compound ID | Bp7mVHjZh7T |
|---|---|
| InChI | InChI=1S/C12H18/c1-3-4-5-9-12-10-7-6-8-11(12)2/h6-8,10H,3-5,9H2,1-2H3 |
| InChIKey | NQVHSBDSEAYZOO-UHFFFAOYSA-N |
| Mol Weight | 162.28 g/mol |
| Molecular Formula | C12H18 |
| Exact Mass | 162.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | olt9tDcaXE |
|---|---|
| Name | 1-Pentyl-2-methylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.140850580 u |
| Formula | C12H18 |
| InChI | InChI=1S/C12H18/c1-3-4-5-9-12-10-7-6-8-11(12)2/h6-8,10H,3-5,9H2,1-2H3 |
| InChIKey | NQVHSBDSEAYZOO-UHFFFAOYSA-N |
| Molecular Weight | 162.276 g/mol |
| SMILES | c1(c(cccc1)C)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966246 |