| SpectraBase Compound ID | 5foePaOYg4W |
|---|---|
| InChI | InChI=1S/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4+ |
| InChIKey | XDOWKOALJBOBBL-SNAWJCMRSA-N |
| Mol Weight | 142.2 g/mol |
| Molecular Formula | C8H14O2 |
| Exact Mass | 142.09938 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8y4f5qxutMZ |
|---|---|
| Name | Trans-crotonic acid, isobutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.099379689 u |
| Formula | C8H14O2 |
| InChI | InChI=1S/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4+ |
| InChIKey | XDOWKOALJBOBBL-SNAWJCMRSA-N |
| Molecular Weight | 142.198 g/mol |
| SMILES | C\C=C\C(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.929228 |