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1-[(4-Chloro-3-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline

View entire compound with spectra: 1 NMR

1-[(4-Chloro-3-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline
SpectraBase Compound ID 3DakAtZWxMb
InChI InChI=1S/C15H13ClN2O4S/c16-13-8-7-12(10-15(13)18(19)20)23(21,22)17-9-3-5-11-4-1-2-6-14(11)17/h1-2,4,6-8,10H,3,5,9H2
InChIKey LEQSFEFOQFAWKA-UHFFFAOYSA-N
Mol Weight 352.79 g/mol
Molecular Formula C15H13ClN2O4S
Exact Mass 352.028456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQNBHZdlmBH
Name 1-[(4-Chloro-3-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline
Comments Computed using HOSE algorithm
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Exact Mass 352.028455777 u
Formula C15H13ClN2O4S
InChI InChI=1S/C15H13ClN2O4S/c16-13-8-7-12(10-15(13)18(19)20)23(21,22)17-9-3-5-11-4-1-2-6-14(11)17/h1-2,4,6-8,10H,3,5,9H2
InChIKey LEQSFEFOQFAWKA-UHFFFAOYSA-N
Molecular Weight 352.792 g/mol
SMILES C1N(S(=O)(=O)C2=CC(=C(C=C2)Cl)N(=O)=O)C=2C(CC1)=CC=CC2