| SpectraBase Compound ID | 3cLSKD5iS5L |
|---|---|
| InChI | InChI=1S/C12H13Cl/c1-8-9-6-4-5-7-10(9)12(2,3)11(8)13/h4-7H,1-3H3 |
| InChIKey | SGSVTARJJMFGLE-UHFFFAOYSA-N |
| Mol Weight | 192.69 g/mol |
| Molecular Formula | C12H13Cl |
| Exact Mass | 192.070578 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KQNhZNBPExZ |
|---|---|
| Name | 1H-Indene, 2-chloro-1,1,3-trimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.070578119 u |
| Formula | C12H13Cl |
| InChI | InChI=1S/C12H13Cl/c1-8-9-6-4-5-7-10(9)12(2,3)11(8)13/h4-7H,1-3H3 |
| InChIKey | SGSVTARJJMFGLE-UHFFFAOYSA-N |
| Molecular Weight | 192.689 g/mol |
| SMILES | C1(=C(C=2C=CC=CC2C1(C)C)C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917919 |