| SpectraBase Compound ID | J0H1fzIgqWi |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-2-3-5-8(10)6-4-7-9/h2,7H,1,3-6H2 |
| InChIKey | IVTSWARMXWYTAH-UHFFFAOYSA-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 | HTAw0r0OvJb |
|---|---|
| Name | 7-Octenal, 4-oxo- |
| 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/c1-2-3-5-8(10)6-4-7-9/h2,7H,1,3-6H2 |
| InChIKey | IVTSWARMXWYTAH-UHFFFAOYSA-N |
| SMILES | C(=O)(CCC=C)CCC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93471 |