| SpectraBase Compound ID | C2lSrjG6AH0 |
|---|---|
| InChI | InChI=1S/C9H12O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h2,4,7-8H,1,3,5-6H2 |
| InChIKey | SFBHBRZCFVNDRV-UHFFFAOYSA-N |
| Mol Weight | 152.19 g/mol |
| Molecular Formula | C9H12O2 |
| Exact Mass | 152.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 96FIfuA8ALW |
|---|---|
| Name | 1,4,4A,5,6,8A-Hexahydroisochromen-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.083729624 u |
| Formula | C9H12O2 |
| InChI | InChI=1S/C9H12O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h2,4,7-8H,1,3,5-6H2 |
| InChIKey | SFBHBRZCFVNDRV-UHFFFAOYSA-N |
| Molecular Weight | 152.193 g/mol |
| SMILES | C1(OCC2C(C1)CCC=C2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985082 |