| SpectraBase Compound ID | Ja9SB8JSzCu |
|---|---|
| InChI | InChI=1S/C7H10O2/c1-3-5-7(8)9-6-4-2/h3-4H,1-2,5-6H2 |
| InChIKey | AAKKKMOPCAFJCX-UHFFFAOYSA-N |
| Mol Weight | 126.15 g/mol |
| Molecular Formula | C7H10O2 |
| Exact Mass | 126.06808 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IFQRtptIFnM |
|---|---|
| Name | 3-Butenoic acid, allyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.068079560 u |
| Formula | C7H10O2 |
| InChI | InChI=1S/C7H10O2/c1-3-5-7(8)9-6-4-2/h3-4H,1-2,5-6H2 |
| InChIKey | AAKKKMOPCAFJCX-UHFFFAOYSA-N |
| Molecular Weight | 126.155 g/mol |
| SMILES | C=CCC(OCC=C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.985691 |