| SpectraBase Compound ID | DaEgvpiGhRA |
|---|---|
| InChI | InChI=1S/C11H12O2/c1-8(12)13-11-7-6-9-4-2-3-5-10(9)11/h2-5,11H,6-7H2,1H3 |
| InChIKey | BZZWYQKRGRYJAX-UHFFFAOYSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C11H12O2 |
| Exact Mass | 176.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CbZtv1E0Bhg |
|---|---|
| Name | 1-Acetoxyindan |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.083729624 u |
| Formula | C11H12O2 |
| InChI | InChI=1S/C11H12O2/c1-8(12)13-11-7-6-9-4-2-3-5-10(9)11/h2-5,11H,6-7H2,1H3 |
| InChIKey | BZZWYQKRGRYJAX-UHFFFAOYSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C1(OC(=O)C)C=2C(=CC=CC2)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.884189 |