| SpectraBase Compound ID | 8ooo43VYtsP |
|---|---|
| InChI | InChI=1S/C6H6O4/c1-3(5(7)8)4(2)6(9)10/h1-2H2,(H,7,8)(H,9,10) |
| InChIKey | PQGVRLYVSSROJJ-UHFFFAOYSA-N |
| Mol Weight | 142.11 g/mol |
| Molecular Formula | C6H6O4 |
| Exact Mass | 142.026609 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9jo9zqtp2v |
|---|---|
| Name | Butanedioic acid, bis(methylene)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.026608669 u |
| Formula | C6H6O4 |
| InChI | InChI=1S/C6H6O4/c1-3(5(7)8)4(2)6(9)10/h1-2H2,(H,7,8)(H,9,10) |
| InChIKey | PQGVRLYVSSROJJ-UHFFFAOYSA-N |
| Molecular Weight | 142.110 g/mol |
| SMILES | C(C(O)=O)(C(C(O)=O)=C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.991998 |