SpectraBase Compound ID | GGkjIrO7eZW |
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InChI | InChI=1S/C11H21Cl2NO/c1-3-5-7-9-14(8-6-4-2)11(15)10(12)13/h10H,3-9H2,1-2H3 |
InChIKey | HMSKEPDHRIRCLM-UHFFFAOYSA-N |
Mol Weight | 254.2 g/mol |
Molecular Formula | C11H21Cl2NO |
Exact Mass | 253.10002 g/mol |
SpectraBase Spectrum ID | 4axeL5yci2B |
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Name | Acetamide, 2,2-dichloro-N-butyl-N-pentyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 253.100019699 u |
Formula | C11H21Cl2NO |
InChI | InChI=1S/C11H21Cl2NO/c1-3-5-7-9-14(8-6-4-2)11(15)10(12)13/h10H,3-9H2,1-2H3 |
InChIKey | HMSKEPDHRIRCLM-UHFFFAOYSA-N |
Molecular Weight | 254.201 g/mol |
SMILES | C(=O)(N(CCCC)CCCCC)C(Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949554 |