| SpectraBase Compound ID | J7LjsZtCwtb |
|---|---|
| InChI | InChI=1S/C6H10O2/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3 |
| InChIKey | XRFWKHVQMACVTA-UHFFFAOYSA-N |
| Mol Weight | 114.14 g/mol |
| Molecular Formula | C6H10O2 |
| Exact Mass | 114.06808 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HUJzRdxm6II |
|---|---|
| Name | Propionsaeureallylester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 114.068079560 u |
| Formula | C6H10O2 |
| InChI | InChI=1S/C6H10O2/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3 |
| InChIKey | XRFWKHVQMACVTA-UHFFFAOYSA-N |
| Molecular Weight | 114.144 g/mol |
| SMILES | C(=O)(CC)OCC=C |
| Spectrum/Structure Validation Score (Raman) | 0.98922 |