| SpectraBase Compound ID | 1Dhq9xeejwP |
|---|---|
| InChI | InChI=1S/C20H28O3/c1-18(2,3)15-10-11-19(4)12-16(15)20(19,22)14-8-6-13(7-9-14)17(21)23-5/h6-9,15-16,22H,10-12H2,1-5H3/t15?,16-,19-,20-/m0/s1 |
| InChIKey | GXIDIGDLGWGAEH-CPRJKXONSA-N |
| Mol Weight | 316.44 g/mol |
| Molecular Formula | C20H28O3 |
| Exact Mass | 316.203845 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 16Euhaf142D |
|---|---|
| Name | (Endo)-arylcyclobutanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.203844759 u |
| Formula | C20H28O3 |
| InChI | InChI=1S/C20H28O3/c1-18(2,3)15-10-11-19(4)12-16(15)20(19,22)14-8-6-13(7-9-14)17(21)23-5/h6-9,15-16,22H,10-12H2,1-5H3/t15?,16-,19-,20-/m0/s1 |
| InChIKey | GXIDIGDLGWGAEH-CPRJKXONSA-N |
| Molecular Weight | 316.441 g/mol |
| SMILES | [C@]12([C@@](C=3C=CC(C(=O)OC)=CC3)(O)[C@@](C1)(C(C(C)(C)C)CC2)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.804976 |