| SpectraBase Compound ID | 2lihS0XzxCe |
|---|---|
| InChI | InChI=1S/C9H12O2/c1-3-8(10)6-5-7-9(11)4-2/h3-4H,1-2,5-7H2 |
| InChIKey | NUXOAAAFNSVQLC-UHFFFAOYSA-N |
| Mol Weight | 152.19 g/mol |
| Molecular Formula | C9H12O2 |
| Exact Mass | 152.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JWXbQQytssd |
|---|---|
| Name | 3,7-Dioxo-1,8-nonadiene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.083729624 u |
| Formula | C9H12O2 |
| InChI | InChI=1S/C9H12O2/c1-3-8(10)6-5-7-9(11)4-2/h3-4H,1-2,5-7H2 |
| InChIKey | NUXOAAAFNSVQLC-UHFFFAOYSA-N |
| Molecular Weight | 152.193 g/mol |
| SMILES | C(C(CCCC(C=C)=O)=O)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908556 |