| SpectraBase Compound ID | 4kBMOkSZRbR |
|---|---|
| InChI | InChI=1S/C11H15NO3/c1-4-11(5-2)9(14)6-7-12(8(3)13)10(11)15/h6-7H,4-5H2,1-3H3 |
| InChIKey | CBMUUBUSESWQAV-UHFFFAOYSA-N |
| Mol Weight | 209.24 g/mol |
| Molecular Formula | C11H15NO3 |
| Exact Mass | 209.105193 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DBsKZ9Pllh |
|---|---|
| Name | Pyrithyldione ac |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.105193344 u |
| Formula | C11H15NO3 |
| InChI | InChI=1S/C11H15NO3/c1-4-11(5-2)9(14)6-7-12(8(3)13)10(11)15/h6-7H,4-5H2,1-3H3 |
| InChIKey | CBMUUBUSESWQAV-UHFFFAOYSA-N |
| Molecular Weight | 209.245 g/mol |
| SMILES | C1(C(N(C=CC1=O)C(=O)C)=O)(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963681 |