| SpectraBase Compound ID | IntczpniQDo |
|---|---|
| InChI | InChI=1S/C12H16O/c1-8-5-6-9(2)11-10(8)7-12(3,4)13-11/h5-6H,7H2,1-4H3 |
| InChIKey | SKPOTWSQQUXZIJ-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J4s16WgDrkN |
|---|---|
| Name | 2,2,4,7-Tetramethyl-3H-1-benzofuran |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.120115134 u |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-8-5-6-9(2)11-10(8)7-12(3,4)13-11/h5-6H,7H2,1-4H3 |
| InChIKey | SKPOTWSQQUXZIJ-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C1(OC=2C(C1)=C(C=CC2C)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910725 |