| SpectraBase Compound ID | 5EFGhdQacse |
|---|---|
| InChI | InChI=1S/C13H14/c1-10(2)9-12-8-7-11-5-3-4-6-13(11)12/h3-6,8-9H,7H2,1-2H3 |
| InChIKey | FEXGRHGTFRQYQI-UHFFFAOYSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C13H14 |
| Exact Mass | 170.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DAHqx3W4DYO |
|---|---|
| Name | 3-(2-Methyl-propenyl)-1H-indene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.109550451 u |
| Formula | C13H14 |
| InChI | InChI=1S/C13H14/c1-10(2)9-12-8-7-11-5-3-4-6-13(11)12/h3-6,8-9H,7H2,1-2H3 |
| InChIKey | FEXGRHGTFRQYQI-UHFFFAOYSA-N |
| Molecular Weight | 170.255 g/mol |
| SMILES | C1=CC=C2C(=C1)C(=CC2)C=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.883533 |