| SpectraBase Compound ID | UlOIoiDOPo |
|---|---|
| InChI | InChI=1S/C12H18/c1-2-5-11-7-4-8-12(11,6-3-1)10-9-11/h4,7H,1-3,5-6,8-10H2 |
| InChIKey | ZCUPFPPRUYEEGI-UHFFFAOYSA-N |
| Mol Weight | 162.28 g/mol |
| Molecular Formula | C12H18 |
| Exact Mass | 162.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2qTWoiUMy2R |
|---|---|
| Name | 1H,4H-3A,8A-Ethanoazulene, 5,6,7,8-tetrahydro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.140850580 u |
| Formula | C12H18 |
| InChI | InChI=1S/C12H18/c1-2-5-11-7-4-8-12(11,6-3-1)10-9-11/h4,7H,1-3,5-6,8-10H2 |
| InChIKey | ZCUPFPPRUYEEGI-UHFFFAOYSA-N |
| Molecular Weight | 162.276 g/mol |
| SMILES | C123C(CC=C3)(CCCCC1)CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.895223 |