![Tricyclo[3.3.0.0(3,7)]octane-1,5-diol](/api/spectrum/CsqCsI9FIaC/structure.png?h=300&w=458 "Tricyclo[3.3.0.0(3,7)]octane-1,5-diol")
| SpectraBase Compound ID | CwEP0ahgJQW |
|---|---|
| InChI | InChI=1S/C8H12O2/c9-7-1-5-2-8(7,10)4-6(5)3-7/h5-6,9-10H,1-4H2/t5?,6?,7-,8+ |
| InChIKey | NAHCSOVKKBBLJX-HYNHDVCUSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CsqCsI9FIaC |
|---|---|
| Name | Tricyclo[3.3.0.0(3,7)]octane-1,5-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.083729624 u |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c9-7-1-5-2-8(7,10)4-6(5)3-7/h5-6,9-10H,1-4H2/t5?,6?,7-,8+ |
| InChIKey | NAHCSOVKKBBLJX-HYNHDVCUSA-N |
| SMILES | [C@]12(CC3C[C@]2(CC3C1)O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.814408 |