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4-(4-Chloranylbutyl)-7-nitro-1,3-dihydroquinoxalin-2-one

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

4-(4-Chloranylbutyl)-7-nitro-1,3-dihydroquinoxalin-2-one
SpectraBase Compound ID 3p9zO7jnUQ3
InChI InChI=1S/C12H14ClN3O3/c13-5-1-2-6-15-8-12(17)14-10-7-9(16(18)19)3-4-11(10)15/h3-4,7H,1-2,5-6,8H2,(H,14,17)
InChIKey LCPNVPCHYVWJME-UHFFFAOYSA-N
Mol Weight 283.71 g/mol
Molecular Formula C12H14ClN3O3
Exact Mass 283.072369 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EN2SanUoCp6
Name 4-(4-Chloranylbutyl)-7-nitro-1,3-dihydroquinoxalin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 283.072369020 u
Formula C12H14ClN3O3
InChI InChI=1S/C12H14ClN3O3/c13-5-1-2-6-15-8-12(17)14-10-7-9(16(18)19)3-4-11(10)15/h3-4,7H,1-2,5-6,8H2,(H,14,17)
InChIKey LCPNVPCHYVWJME-UHFFFAOYSA-N
Molecular Weight 283.715 g/mol
SMILES C1(NC=2C=C(C=CC2N(C1)CCCCCl)N(=O)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893965