| SpectraBase Compound ID | BPpHKe5kcQd |
|---|---|
| InChI | InChI=1S/C16H24/c1-8-12-9-13(15(2,3)4)11-14(10-12)16(5,6)7/h8-11H,1H2,2-7H3 |
| InChIKey | KMIUMVFPNZIVQX-UHFFFAOYSA-N |
| Mol Weight | 216.37 g/mol |
| Molecular Formula | C16H24 |
| Exact Mass | 216.187801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5HMffrP6O3w |
|---|---|
| Name | 3,5-di-Tert-butylstyrol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.187800773 u |
| Formula | C16H24 |
| InChI | InChI=1S/C16H24/c1-8-12-9-13(15(2,3)4)11-14(10-12)16(5,6)7/h8-11H,1H2,2-7H3 |
| InChIKey | KMIUMVFPNZIVQX-UHFFFAOYSA-N |
| Molecular Weight | 216.368 g/mol |
| SMILES | c1c(cc(cc1C(C)(C)C)C=C)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85979 |