| SpectraBase Compound ID | DKnRZtpfXDs |
|---|---|
| InChI | InChI=1S/C12H14/c1-8-9(2)11-6-4-5-7-12(11)10(8)3/h4-7,9H,1-3H3 |
| InChIKey | NPXPQDMZVKFLKB-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C12H14 |
| Exact Mass | 158.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 89gn2wshy3L |
|---|---|
| Name | 1,2,3-Trimethylindene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.109550451 u |
| Formula | C12H14 |
| InChI | InChI=1S/C12H14/c1-8-9(2)11-6-4-5-7-12(11)10(8)3/h4-7,9H,1-3H3 |
| InChIKey | NPXPQDMZVKFLKB-UHFFFAOYSA-N |
| Molecular Weight | 158.244 g/mol |
| SMILES | CC1C(C)=C(C=2C1=CC=CC2)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94858 |