| SpectraBase Compound ID | 7OE027e5kHZ |
|---|---|
| InChI | InChI=1S/C8H11ClN2O/c1-2-3-4-11-6-7(9)5-10-8(11)12/h5-6H,2-4H2,1H3 |
| InChIKey | ICUHYOIYWDUAAO-UHFFFAOYSA-N |
| Mol Weight | 186.64 g/mol |
| Molecular Formula | C8H11ClN2O |
| Exact Mass | 186.055991 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3sbqD7T9OZQ |
|---|---|
| Name | 2(1H)-Pyrimidinone, 1-butyl-5-chloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.055990681 u |
| Formula | C8H11ClN2O |
| InChI | InChI=1S/C8H11ClN2O/c1-2-3-4-11-6-7(9)5-10-8(11)12/h5-6H,2-4H2,1H3 |
| InChIKey | ICUHYOIYWDUAAO-UHFFFAOYSA-N |
| Molecular Weight | 186.642 g/mol |
| SMILES | C1(N(C=C(C=N1)Cl)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960633 |