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3'-Chloro-4'-nitrononananilide
SpectraBase Compound ID 8uVgvKlrUcU
InChI InChI=1S/C15H21ClN2O3/c1-2-3-4-5-6-7-8-15(19)17-12-9-10-14(18(20)21)13(16)11-12/h9-11H,2-8H2,1H3,(H,17,19)
InChIKey UNXRBKJCTFKOFO-UHFFFAOYSA-N
Mol Weight 312.8 g/mol
Molecular Formula C15H21ClN2O3
Exact Mass 312.12407 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID CnYyN7csDz
Name 3'-Chloro-4'-nitrononananilide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.124070241 u
Formula C15H21ClN2O3
InChI InChI=1S/C15H21ClN2O3/c1-2-3-4-5-6-7-8-15(19)17-12-9-10-14(18(20)21)13(16)11-12/h9-11H,2-8H2,1H3,(H,17,19)
InChIKey UNXRBKJCTFKOFO-UHFFFAOYSA-N
Molecular Weight 312.797 g/mol
SMILES N(=O)(=O)C=1C(=CC(=CC1)NC(CCCCCCCC)=O)Cl
Spectrum/Structure Validation Score (Raman) 0.949446