| SpectraBase Compound ID | WTzhfGV8TH |
|---|---|
| InChI | InChI=1S/C12H16/c1-12(2,11-8-9-11)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3 |
| InChIKey | IVDVVZZDOGDKGH-UHFFFAOYSA-N |
| Mol Weight | 160.26 g/mol |
| Molecular Formula | C12H16 |
| Exact Mass | 160.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6SwicnuXtQ2 |
|---|---|
| Name | Benzene, (1-cyclopropyl-1-methylethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.125200515 u |
| Formula | C12H16 |
| InChI | InChI=1S/C12H16/c1-12(2,11-8-9-11)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3 |
| InChIKey | IVDVVZZDOGDKGH-UHFFFAOYSA-N |
| Molecular Weight | 160.260 g/mol |
| SMILES | CC(C)(C1CC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937224 |