| SpectraBase Compound ID | LRj7Z9fcmhS |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-3-4-6-10(9(2)12)7-5-8-11/h3,8,10H,1,4-7H2,2H3 |
| InChIKey | XJONKTFZNRLKQY-UHFFFAOYSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2Fl7dtZ8eEk |
|---|---|
| Name | 4-Acetyl-7-octenal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.115029753 u |
| Formula | C10H16O2 |
| InChI | InChI=1S/C10H16O2/c1-3-4-6-10(9(2)12)7-5-8-11/h3,8,10H,1,4-7H2,2H3 |
| InChIKey | XJONKTFZNRLKQY-UHFFFAOYSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C(=O)(C(CCC=C)CCC=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942907 |