| SpectraBase Compound ID | 1H7SrMPiPUH |
|---|---|
| InChI | InChI=1S/C9H14/c1-2-5-9-7-3-6-8(9)4-1/h1-2,8-9H,3-7H2 |
| InChIKey | UZURTQHPMXADGG-UHFFFAOYSA-N |
| Mol Weight | 122.21 g/mol |
| Molecular Formula | C9H14 |
| Exact Mass | 122.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3pPWF4MksCM |
|---|---|
| Name | 2,3,3A,4,7,7A-Hexahydro-1H-indene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 122.109550451 u |
| Formula | C9H14 |
| InChI | InChI=1S/C9H14/c1-2-5-9-7-3-6-8(9)4-1/h1-2,8-9H,3-7H2 |
| InChIKey | UZURTQHPMXADGG-UHFFFAOYSA-N |
| Molecular Weight | 122.211 g/mol |
| SMILES | C1=CCC2C(C1)CCC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.833727 |