| SpectraBase Compound ID | 7049p2wJwwG |
|---|---|
| InChI | InChI=1S/C13H22N2O4/c1-10(16)14(11(2)17)8-6-5-7-9-15(12(3)18)13(4)19/h5-9H2,1-4H3 |
| InChIKey | RMINCGDKDWLIDK-UHFFFAOYSA-N |
| Mol Weight | 270.33 g/mol |
| Molecular Formula | C13H22N2O4 |
| Exact Mass | 270.157957 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5CYOezSSOwT |
|---|---|
| Name | Pentamethylene bisacetamide, 2ac |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.157957192 u |
| Formula | C13H22N2O4 |
| InChI | InChI=1S/C13H22N2O4/c1-10(16)14(11(2)17)8-6-5-7-9-15(12(3)18)13(4)19/h5-9H2,1-4H3 |
| InChIKey | RMINCGDKDWLIDK-UHFFFAOYSA-N |
| SMILES | C(CCCCN(C(C)=O)C(=O)C)N(C(C)=O)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93382 |