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(Z)-N-t-Butyl-3-chloro-3-octenamide

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(Z)-N-t-Butyl-3-chloro-3-octenamide
SpectraBase Compound ID 5qVquARgtQp
InChI InChI=1S/C12H22ClNO/c1-5-6-7-8-10(13)9-11(15)14-12(2,3)4/h8H,5-7,9H2,1-4H3,(H,14,15)/b10-8-
InChIKey MLWVHICYJGTOHT-NTMALXAHSA-N
Mol Weight 231.77 g/mol
Molecular Formula C12H22ClNO
Exact Mass 231.138992 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IG3CbQblM3Z
Name (Z)-N-T-Butyl-3-chloro-3-octenamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 231.138992031 u
Formula C12H22ClNO
InChI InChI=1S/C12H22ClNO/c1-5-6-7-8-10(13)9-11(15)14-12(2,3)4/h8H,5-7,9H2,1-4H3,(H,14,15)/b10-8-
InChIKey MLWVHICYJGTOHT-NTMALXAHSA-N
Molecular Weight 231.767 g/mol
SMILES C(C\C(=C\CCCC)Cl)(NC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.987598