| SpectraBase Compound ID | DBWbEX1eM5b |
|---|---|
| InChI | InChI=1S/C13H18/c1-2-3-6-11-9-10-12-7-4-5-8-13(11)12/h4-5,7-8,11H,2-3,6,9-10H2,1H3 |
| InChIKey | JTLPGDQZBYPAFG-UHFFFAOYSA-N |
| Mol Weight | 174.29 g/mol |
| Molecular Formula | C13H18 |
| Exact Mass | 174.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C7e3npTJ5Sa |
|---|---|
| Name | 1H-Indene, 1-butyl-2,3-dihydro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.140850580 u |
| Formula | C13H18 |
| InChI | InChI=1S/C13H18/c1-2-3-6-11-9-10-12-7-4-5-8-13(11)12/h4-5,7-8,11H,2-3,6,9-10H2,1H3 |
| InChIKey | JTLPGDQZBYPAFG-UHFFFAOYSA-N |
| Molecular Weight | 174.287 g/mol |
| SMILES | c1ccc2c(c1)CCC2CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961359 |