| SpectraBase Compound ID | 8wgwkAJU5EB |
|---|---|
| InChI | InChI=1S/C11H14/c1-9-8-11(9,2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | DAOQQRZCCXODNE-UHFFFAOYSA-N |
| Mol Weight | 146.23 g/mol |
| Molecular Formula | C11H14 |
| Exact Mass | 146.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 39ro3Lq8qka |
|---|---|
| Name | 1,2-Dimethyl-1-phenylcyclopropane isomer |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.109550451 u |
| Formula | C11H14 |
| InChI | InChI=1S/C11H14/c1-9-8-11(9,2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | DAOQQRZCCXODNE-UHFFFAOYSA-N |
| Molecular Weight | 146.233 g/mol |
| SMILES | C1(C(C1)C)(C=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92425 |