| SpectraBase Compound ID | 8onQ7864pW7 |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-4-5-10-8(9)6-7(2)3/h4,6H,1,5H2,2-3H3 |
| InChIKey | GVTWTJSNCVPLSZ-UHFFFAOYSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CmpNDG3qHZf |
|---|---|
| Name | 3-Methyl-2-butenoic acid, allyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.083729624 u |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c1-4-5-10-8(9)6-7(2)3/h4,6H,1,5H2,2-3H3 |
| InChIKey | GVTWTJSNCVPLSZ-UHFFFAOYSA-N |
| SMILES | C=CCOC(=O)C=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975113 |