| SpectraBase Compound ID | JCJJvRtRa04 |
|---|---|
| InChI | InChI=1S/C13H18/c1-4-5-8-11(2)13-10-7-6-9-12(13)3/h6-7,9-10H,2,4-5,8H2,1,3H3 |
| InChIKey | QTIXBNQXLCOLSM-UHFFFAOYSA-N |
| Mol Weight | 174.29 g/mol |
| Molecular Formula | C13H18 |
| Exact Mass | 174.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AUPwYBRHScf |
|---|---|
| Name | 1-Ethyl-2-(HEXEN2-yl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.140850580 u |
| Formula | C13H18 |
| InChI | InChI=1S/C13H18/c1-4-5-8-11(2)13-10-7-6-9-12(13)3/h6-7,9-10H,2,4-5,8H2,1,3H3 |
| InChIKey | QTIXBNQXLCOLSM-UHFFFAOYSA-N |
| Molecular Weight | 174.287 g/mol |
| SMILES | C1(C(=C)CCCC)=C(C)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958014 |