| SpectraBase Compound ID | LruHRCNPA2L |
|---|---|
| InChI | InChI=1S/C8H14O2/c1-4-10-8(9)6-5-7(2)3/h5-7H,4H2,1-3H3/b6-5+ |
| InChIKey | GNDHNYOKGXAMOS-AATRIKPKSA-N |
| Mol Weight | 142.2 g/mol |
| Molecular Formula | C8H14O2 |
| Exact Mass | 142.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Agkt4K5bIca |
|---|---|
| Name | 2-Pentenoic acid, 4-methyl-, ethyl ester, (E)- |
| 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/c1-4-10-8(9)6-5-7(2)3/h5-7H,4H2,1-3H3/b6-5+ |
| InChIKey | GNDHNYOKGXAMOS-AATRIKPKSA-N |
| Molecular Weight | 142.198 g/mol |
| SMILES | C(OC(=O)\C=C\C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.884915 |