| SpectraBase Compound ID | KbL47I9HwH5 |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-12(2,3)15-7-9-4-5-10-11(6-9)14-8-13-10/h4-6H,7-8H2,1-3H3 |
| InChIKey | BJGHUNJDLQYKPF-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CULHh5JSp9b |
|---|---|
| Name | Piperonyl alcohol, tert.-butyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-12(2,3)15-7-9-4-5-10-11(6-9)14-8-13-10/h4-6H,7-8H2,1-3H3 |
| InChIKey | BJGHUNJDLQYKPF-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C12=C(C=CC(=C2)COC(C)(C)C)OCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960213 |