| SpectraBase Compound ID | EY4v8c6YxRZ |
|---|---|
| InChI | InChI=1S/C13H18/c1-11(2)6-4-8-13-9-5-7-12(3)10-13/h5-7,9-10H,4,8H2,1-3H3 |
| InChIKey | MMRSOIRVYUDAHI-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 | Awb82cxPtLW |
|---|---|
| Name | 1-(3-Methylphenyl)4-methyl-3-pentene |
| 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/c1-11(2)6-4-8-13-9-5-7-12(3)10-13/h5-7,9-10H,4,8H2,1-3H3 |
| InChIKey | MMRSOIRVYUDAHI-UHFFFAOYSA-N |
| Molecular Weight | 174.287 g/mol |
| SMILES | C1=C(C=C(C=C1)CCC=C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.890399 |