| SpectraBase Compound ID | BVw8Wgb88H2 |
|---|---|
| InChI | InChI=1S/C8H10O4/c1-5(2)8(10)6(11-3)4-7(9)12-8/h4,10H,1H2,2-3H3 |
| InChIKey | YCOFRPYSZKIPBQ-UHFFFAOYSA-N |
| Mol Weight | 170.16 g/mol |
| Molecular Formula | C8H10O4 |
| Exact Mass | 170.057909 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CW6yl58VcwC |
|---|---|
| Name | Penicillic-acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.057908798 u |
| Formula | C8H10O4 |
| InChI | InChI=1S/C8H10O4/c1-5(2)8(10)6(11-3)4-7(9)12-8/h4,10H,1H2,2-3H3 |
| InChIKey | YCOFRPYSZKIPBQ-UHFFFAOYSA-N |
| SMILES | C1(=O)C=C(C(O1)(O)C(=C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.806222 |