| SpectraBase Compound ID | BPy2WOjuRVv |
|---|---|
| InChI | InChI=1S/C13H16/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)12/h4-9,12H,1-3H3 |
| InChIKey | IHHBPJRQKRVWAY-UHFFFAOYSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C13H16 |
| Exact Mass | 172.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JTcWK6mnWqk |
|---|---|
| Name | 1H-Indene, 1-(1,1-dimethylethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.125200515 u |
| Formula | C13H16 |
| InChI | InChI=1S/C13H16/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)12/h4-9,12H,1-3H3 |
| InChIKey | IHHBPJRQKRVWAY-UHFFFAOYSA-N |
| Molecular Weight | 172.271 g/mol |
| SMILES | CC(C)(C)C1C=CC=2C1=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952934 |