| SpectraBase Compound ID | BnRp7Ikv8su |
|---|---|
| InChI | InChI=1S/C12H14O/c1-8-9(2)12(7-13)11-6-4-3-5-10(8)11/h3-6,12-13H,7H2,1-2H3 |
| InChIKey | XOVPIGRUZXTFKK-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 | 6eT2BDanCHy |
|---|---|
| Name | (2,3-Dimethyl-1H-inden-1-yl)methanol |
| 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/c1-8-9(2)12(7-13)11-6-4-3-5-10(8)11/h3-6,12-13H,7H2,1-2H3 |
| InChIKey | XOVPIGRUZXTFKK-UHFFFAOYSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C1=CC=C2C(C(=C(C2=C1)C)C)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.835381 |