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2-Chloro-3'-nitroacetophenone

View entire compound with spectra: 2 FTIR, 1 Raman, and 4 MS (GC)

2-Chloro-3'-nitroacetophenone
SpectraBase Compound ID CJKQMiuqKB
InChI InChI=1S/C8H6ClNO3/c9-5-8(11)6-2-1-3-7(4-6)10(12)13/h1-4H,5H2
InChIKey LBHUVZXFCGZYDL-UHFFFAOYSA-N
Mol Weight 199.59 g/mol
Molecular Formula C8H6ClNO3
Exact Mass 199.003621 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 8IvPCwQSz4n
Name 2-Chloro-3'-nitroacetophenone; acetophenone, 2-chloro-3'-nitro-; ethanone, 2-chloro-1-(3-nitrophenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 199.003620754 u
Formula C8H6ClNO3
InChI InChI=1S/C8H6ClNO3/c9-5-8(11)6-2-1-3-7(4-6)10(12)13/h1-4H,5H2
InChIKey LBHUVZXFCGZYDL-UHFFFAOYSA-N
Molecular Weight 199.593 g/mol
SMILES C1=C(C=CC=C1[N+]([O-])=O)C(CCl)=O
Spectrum/Structure Validation Score (Raman) 0.907861