| SpectraBase Compound ID | 9vRMy2UCZ4y |
|---|---|
| InChI | InChI=1S/C14H22/c1-3-4-5-6-7-11-14-12-9-8-10-13(14)2/h8-10,12H,3-7,11H2,1-2H3 |
| InChIKey | YGDQXQVHCOFEEP-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 | Ek2aZF6BpG1 |
|---|---|
| Name | 1-Heptyl-2-methylbenzene |
| 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/c1-3-4-5-6-7-11-14-12-9-8-10-13(14)2/h8-10,12H,3-7,11H2,1-2H3 |
| InChIKey | YGDQXQVHCOFEEP-UHFFFAOYSA-N |
| Molecular Weight | 190.330 g/mol |
| SMILES | C(CCCCC)Cc1ccccc1C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959119 |