| SpectraBase Compound ID | GS3Y5vjbr21 |
|---|---|
| InChI | InChI=1S/C8H12O2/c9-7-5-3-1-2-4-6-8-10/h1-2,7-8H,3-6H2/b2-1- |
| InChIKey | IPKANKUZIOETCW-UPHRSURJSA-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 | 1DGCd61pUoD |
|---|---|
| Name | 4-Octenedial, (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/c9-7-5-3-1-2-4-6-8-10/h1-2,7-8H,3-6H2/b2-1- |
| InChIKey | IPKANKUZIOETCW-UPHRSURJSA-N |
| SMILES | C(\C=C/CCC=O)CC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951294 |