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Phenylacetamide, 4-fluoro-N-pentyl-

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Phenylacetamide, 4-fluoro-N-pentyl-
SpectraBase Compound ID 2xSaiJAafuD
InChI InChI=1S/C13H18FNO/c1-2-3-4-9-15-13(16)10-11-5-7-12(14)8-6-11/h5-8H,2-4,9-10H2,1H3,(H,15,16)
InChIKey SGCASAKJKUQAEQ-UHFFFAOYSA-N
Mol Weight 223.29 g/mol
Molecular Formula C13H18FNO
Exact Mass 223.137242 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L5gzjB0yu5t
Name Phenylacetamide, 4-fluoro-N-pentyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.137242366 u
Formula C13H18FNO
InChI InChI=1S/C13H18FNO/c1-2-3-4-9-15-13(16)10-11-5-7-12(14)8-6-11/h5-8H,2-4,9-10H2,1H3,(H,15,16)
InChIKey SGCASAKJKUQAEQ-UHFFFAOYSA-N
Molecular Weight 223.291 g/mol
SMILES C(C(NCCCCC)=O)C=1C=CC(=CC1)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931473