| SpectraBase Compound ID | D7SgqGKwIIT |
|---|---|
| InChI | InChI=1S/C12H12/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)11/h1-2,4,6H,3,5,7-8H2 |
| InChIKey | GGEHHHJFJVBKHI-UHFFFAOYSA-N |
| Mol Weight | 156.23 g/mol |
| Molecular Formula | C12H12 |
| Exact Mass | 156.0939 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5P5VkVhg8pG |
|---|---|
| Name | Tetrahydrobenzopentalene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.093900386 u |
| Formula | C12H12 |
| InChI | InChI=1S/C12H12/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)11/h1-2,4,6H,3,5,7-8H2 |
| InChIKey | GGEHHHJFJVBKHI-UHFFFAOYSA-N |
| Molecular Weight | 156.228 g/mol |
| SMILES | C12=C(CC3=C2C=CC=C3)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946625 |