| SpectraBase Compound ID | HaNygqYajOJ |
|---|---|
| InChI | InChI=1S/C7H8O2/c1-7(6(8)9)4-2-3-5-7/h2-5H,1H3,(H,8,9) |
| InChIKey | JBKHRSUZNSOCEI-UHFFFAOYSA-N |
| Mol Weight | 124.14 g/mol |
| Molecular Formula | C7H8O2 |
| Exact Mass | 124.052429 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Cur3uc2gBzz |
|---|---|
| Name | 2,4-Cyclopentadiene-1-carboxylic acid, 1-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.052429496 u |
| Formula | C7H8O2 |
| InChI | InChI=1S/C7H8O2/c1-7(6(8)9)4-2-3-5-7/h2-5H,1H3,(H,8,9) |
| InChIKey | JBKHRSUZNSOCEI-UHFFFAOYSA-N |
| Molecular Weight | 124.139 g/mol |
| SMILES | C1(C(=O)O)(C=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.877015 |