| SpectraBase Compound ID | 5G27SxJY66T |
|---|---|
| InChI | InChI=1S/C8H10O4/c1-5(9)11-7-3-4-8(7)12-6(2)10/h3-4H2,1-2H3 |
| InChIKey | JGPKAYKGRUGORK-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 | CVJVR1bZde9 |
|---|---|
| Name | (2-Acetoxycyclobuten-1-yl) acetate |
| 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(9)11-7-3-4-8(7)12-6(2)10/h3-4H2,1-2H3 |
| InChIKey | JGPKAYKGRUGORK-UHFFFAOYSA-N |
| SMILES | C1(=C(OC(=O)C)CC1)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955343 |