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(S)-N-Octyl-4-chloro-3-hydroxybutyramide

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

(S)-N-Octyl-4-chloro-3-hydroxybutyramide
SpectraBase Compound ID FqCYeS26PmW
InChI InChI=1S/C12H24ClNO2/c1-2-3-4-5-6-7-8-14-12(16)9-11(15)10-13/h11,15H,2-10H2,1H3,(H,14,16)/t11-/m0/s1
InChIKey MTGNBHALRWWWQW-NSHDSACASA-N
Mol Weight 249.78 g/mol
Molecular Formula C12H24ClNO2
Exact Mass 249.149557 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8ri42TN1KKa
Name (S)-N-Octyl-4-chloro-3-hydroxybutyramide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.149556715 u
Formula C12H24ClNO2
InChI InChI=1S/C12H24ClNO2/c1-2-3-4-5-6-7-8-14-12(16)9-11(15)10-13/h11,15H,2-10H2,1H3,(H,14,16)/t11-/m0/s1
InChIKey MTGNBHALRWWWQW-NSHDSACASA-N
Molecular Weight 249.782 g/mol
SMILES C(C[C@](O)(CCl)[H])(=O)NCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934512