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Valeramide, 5-chloro-N-(2-butyl)-N-isobutyl-

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Valeramide, 5-chloro-N-(2-butyl)-N-isobutyl-
SpectraBase Compound ID DMMF3D5MWx7
InChI InChI=1S/C13H26ClNO/c1-5-12(4)15(10-11(2)3)13(16)8-6-7-9-14/h11-12H,5-10H2,1-4H3
InChIKey NZQLVTCTUKTLGA-UHFFFAOYSA-N
Mol Weight 247.81 g/mol
Molecular Formula C13H26ClNO
Exact Mass 247.170292 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A93QANAH0So
Name Valeramide, 5-chloro-N-(2-butyl)-N-isobutyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.170292160 u
Formula C13H26ClNO
InChI InChI=1S/C13H26ClNO/c1-5-12(4)15(10-11(2)3)13(16)8-6-7-9-14/h11-12H,5-10H2,1-4H3
InChIKey NZQLVTCTUKTLGA-UHFFFAOYSA-N
Molecular Weight 247.810 g/mol
SMILES C(N(CC(C)C)C(CC)C)(=O)CCCCCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.801135