| SpectraBase Compound ID | EZk3fYADHev |
|---|---|
| InChI | InChI=1S/C12H14O/c1-9(13)8-11-7-6-10-4-2-3-5-12(10)11/h2-5,11H,6-8H2,1H3 |
| InChIKey | RMHJLPIIRZBUTN-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C12H14O |
| Exact Mass | 174.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HXDr1vTArO8 |
|---|---|
| Name | (+-)1-indanylacetone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.104465070 u |
| Formula | C12H14O |
| InChI | InChI=1S/C12H14O/c1-9(13)8-11-7-6-10-4-2-3-5-12(10)11/h2-5,11H,6-8H2,1H3 |
| InChIKey | RMHJLPIIRZBUTN-UHFFFAOYSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C1(C2=C(C=CC=C2)CC1)CC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927518 |