SpectraBase Compound ID | GpDBhUL3vwY |
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InChI | InChI=1S/C11H22ClNO/c1-4-6-8-13(9-7-5-2)11(14)10(3)12/h10H,4-9H2,1-3H3 |
InChIKey | AMBSMXGFOZRXNX-UHFFFAOYSA-N |
Mol Weight | 219.76 g/mol |
Molecular Formula | C11H22ClNO |
Exact Mass | 219.138992 g/mol |
SpectraBase Spectrum ID | 8QyXzqGi0i8 |
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Name | Propanamide, N,N-dibutyl-2-chloro- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 219.138992031 u |
Formula | C11H22ClNO |
InChI | InChI=1S/C11H22ClNO/c1-4-6-8-13(9-7-5-2)11(14)10(3)12/h10H,4-9H2,1-3H3 |
InChIKey | AMBSMXGFOZRXNX-UHFFFAOYSA-N |
Molecular Weight | 219.756 g/mol |
SMILES | C(C(=O)N(CCCC)CCCC)(Cl)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903332 |