| SpectraBase Compound ID | GC78LyoFw0n |
|---|---|
| InChI | InChI=1S/C14H22/c1-13(2)9-5-3-6-10-14-11-7-4-8-12-14/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3 |
| InChIKey | TUFDHHZZUWXWRD-UHFFFAOYSA-N |
| Mol Weight | 190.33 g/mol |
| Molecular Formula | C14H22 |
| Exact Mass | 190.172151 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | PAzLqAF0Bo |
|---|---|
| Name | (6-Methylheptyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.172150708 u |
| Formula | C14H22 |
| InChI | InChI=1S/C14H22/c1-13(2)9-5-3-6-10-14-11-7-4-8-12-14/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3 |
| InChIKey | TUFDHHZZUWXWRD-UHFFFAOYSA-N |
| Molecular Weight | 190.330 g/mol |
| SMILES | C1=CC=CC=C1CCCCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960797 |