| SpectraBase Compound ID | 4n5YKtq3UAn |
|---|---|
| InChI | InChI=1S/C7H12O3/c8-7(9)5-6-3-1-2-4-10-6/h6H,1-5H2,(H,8,9) |
| InChIKey | WRJWKHJGSNPGND-UHFFFAOYSA-N |
| Mol Weight | 144.17 g/mol |
| Molecular Formula | C7H12O3 |
| Exact Mass | 144.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J6sCPm3C21h |
|---|---|
| Name | 2H-Pyran-2-acetic acid, tetrahydro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.078644243 u |
| Formula | C7H12O3 |
| InChI | InChI=1S/C7H12O3/c8-7(9)5-6-3-1-2-4-10-6/h6H,1-5H2,(H,8,9) |
| InChIKey | WRJWKHJGSNPGND-UHFFFAOYSA-N |
| SMILES | C1OC(CC(O)=O)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.895705 |