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Valeramide, 5-chloro-N-propyl-N-(2-ethylhexyl)-
SpectraBase Compound ID 4v4HEcMGY5k
InChI InChI=1S/C16H32ClNO/c1-4-7-10-15(6-3)14-18(13-5-2)16(19)11-8-9-12-17/h15H,4-14H2,1-3H3
InChIKey PTJHQJUCCJEVAF-UHFFFAOYSA-N
Mol Weight 289.9 g/mol
Molecular Formula C16H32ClNO
Exact Mass 289.217242 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DPpDwJpEf10
Name Valeramide, 5-chloro-N-propyl-N-(2-ethylhexyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.217242353 u
Formula C16H32ClNO
InChI InChI=1S/C16H32ClNO/c1-4-7-10-15(6-3)14-18(13-5-2)16(19)11-8-9-12-17/h15H,4-14H2,1-3H3
InChIKey PTJHQJUCCJEVAF-UHFFFAOYSA-N
Molecular Weight 289.891 g/mol
SMILES C(N(CCC)CC(CCCC)CC)(=O)CCCCCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.890828