| SpectraBase Compound ID | Hvuw9cyPVmR |
|---|---|
| InChI | InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3 |
| InChIKey | HKPHPIREJKHECO-UHFFFAOYSA-N |
| Mol Weight | 311.85 g/mol |
| Molecular Formula | C17H26ClNO2 |
| Exact Mass | 311.165207 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6s8wBPwWNYW |
|---|---|
| Name | Butachlor |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.165206779 u |
| Formula | C17H26ClNO2 |
| InChI | InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3 |
| InChIKey | HKPHPIREJKHECO-UHFFFAOYSA-N |
| Molecular Weight | 311.853 g/mol |
| SMILES | C1=C(C(=C(C=C1)CC)N(COCCCC)C(CCl)=O)CC |
| Spectrum/Structure Validation Score (Raman) | 0.941236 |