| SpectraBase Compound ID | LEhF4gIKNFR |
|---|---|
| InChI | InChI=1S/C13H16/c1-4-10-9-13(2,3)12-8-6-5-7-11(10)12/h4-8,10H,1,9H2,2-3H3 |
| InChIKey | GWUGBWWEOVCKPD-UHFFFAOYSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C13H16 |
| Exact Mass | 172.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9U56Uhx85lB |
|---|---|
| Name | 1H-Indene, 3-ethenyl-2,3-dihydro-1,1-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.125200515 u |
| Formula | C13H16 |
| InChI | InChI=1S/C13H16/c1-4-10-9-13(2,3)12-8-6-5-7-11(10)12/h4-8,10H,1,9H2,2-3H3 |
| InChIKey | GWUGBWWEOVCKPD-UHFFFAOYSA-N |
| Molecular Weight | 172.271 g/mol |
| SMILES | CC1(C)CC(C=2C1=CC=CC2)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951198 |