| SpectraBase Compound ID | 1UKEJJ9sicI |
|---|---|
| InChI | InChI=1S/C13H12O3/c1-3-13(16-9(2)14)8-10-6-4-5-7-11(10)12(13)15/h3-7H,1,8H2,2H3 |
| InChIKey | XUDYILZIQXVLNH-UHFFFAOYSA-N |
| Mol Weight | 216.24 g/mol |
| Molecular Formula | C13H12O3 |
| Exact Mass | 216.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3u1FGcX9Hx8 |
|---|---|
| Name | 2-Acetoxy-2-ethenylindan-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.078644243 u |
| Formula | C13H12O3 |
| InChI | InChI=1S/C13H12O3/c1-3-13(16-9(2)14)8-10-6-4-5-7-11(10)12(13)15/h3-7H,1,8H2,2H3 |
| InChIKey | XUDYILZIQXVLNH-UHFFFAOYSA-N |
| Molecular Weight | 216.236 g/mol |
| SMILES | C1(C(C=2C=CC=CC2C1)=O)(OC(=O)C)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.872338 |