| SpectraBase Compound ID | 6RS0Rgwa5pf |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-9(14)16-12-7-6-10(15-5)8-11(12)13(2,3)4/h6-8H,1-5H3 |
| InChIKey | IJMFKXAOABVKPT-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1ppMizpnhBO |
|---|---|
| Name | 3-Tert-butyl-4-hydroxyanisole, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-9(14)16-12-7-6-10(15-5)8-11(12)13(2,3)4/h6-8H,1-5H3 |
| InChIKey | IJMFKXAOABVKPT-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C(C)(C)(C)C1=CC(OC)=CC=C1OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931628 |