| SpectraBase Compound ID | K6CyaOKxJrz |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-13(2,3)15-12(14)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3 |
| InChIKey | ZOJRGDRNISZTQS-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L8sBI5d4jWi |
|---|---|
| Name | Tert.-butyl-dihydrocinnamate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-13(2,3)15-12(14)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3 |
| InChIKey | ZOJRGDRNISZTQS-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C(=O)(CCC1=CC=CC=C1)OC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973599 |