| SpectraBase Compound ID | DtoKyPBSnbe |
|---|---|
| InChI | InChI=1S/C8H12O3/c9-7-8(10)4-2-1-3-6(8)5-11-7/h6,10H,1-5H2 |
| InChIKey | HORQDEDELNNJKX-UHFFFAOYSA-N |
| Mol Weight | 156.18 g/mol |
| Molecular Formula | C8H12O3 |
| Exact Mass | 156.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BmpuJXsI49O |
|---|---|
| Name | (3Ars,7sr,7ars)-7A-hydroxy-perhydroisobenzofuranone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.078644243 u |
| Formula | C8H12O3 |
| InChI | InChI=1S/C8H12O3/c9-7-8(10)4-2-1-3-6(8)5-11-7/h6,10H,1-5H2 |
| InChIKey | HORQDEDELNNJKX-UHFFFAOYSA-N |
| Molecular Weight | 156.181 g/mol |
| SMILES | C12(C(OCC2CCCC1)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.81558 |