| SpectraBase Compound ID | FDZNEyxspmh |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-3-4-5-6-7-8(9)10-2/h3-4,6-7H,5H2,1-2H3/b4-3+,7-6+ |
| InChIKey | AEKZTVSCWKESCZ-FZWLCVONSA-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 | A7zRv5ry63A |
|---|---|
| Name | 2,5-Heptadienoic acid, methyl ester, (E,Z)- |
| 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/c1-3-4-5-6-7-8(9)10-2/h3-4,6-7H,5H2,1-2H3/b4-3+,7-6+ |
| InChIKey | AEKZTVSCWKESCZ-FZWLCVONSA-N |
| SMILES | C\C=C\C\C=C\C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.833474 |