| SpectraBase Compound ID | 3QghwYKFp2n |
|---|---|
| InChI | InChI=1S/C13H20/c1-3-4-5-6-10-13-11-8-7-9-12(13)2/h7-9,11H,3-6,10H2,1-2H3 |
| InChIKey | BNXNQXKAEVKUJG-UHFFFAOYSA-N |
| Mol Weight | 176.3 g/mol |
| Molecular Formula | C13H20 |
| Exact Mass | 176.156501 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6mQUTxtAL2G |
|---|---|
| Name | 1-Methyl-2-N-hexylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.156500644 u |
| Formula | C13H20 |
| InChI | InChI=1S/C13H20/c1-3-4-5-6-10-13-11-8-7-9-12(13)2/h7-9,11H,3-6,10H2,1-2H3 |
| InChIKey | BNXNQXKAEVKUJG-UHFFFAOYSA-N |
| Molecular Weight | 176.303 g/mol |
| SMILES | C1=CC=CC(=C1C)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961804 |