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

View entire compound with spectra: 2 NMR

1-[(4-Butylphenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline
SpectraBase Compound ID Lb412n97mJw
InChI InChI=1S/C19H23NO2S/c1-2-3-7-16-11-13-18(14-12-16)23(21,22)20-15-6-9-17-8-4-5-10-19(17)20/h4-5,8,10-14H,2-3,6-7,9,15H2,1H3
InChIKey JYDSDXAPZJQOCD-UHFFFAOYSA-N
Mol Weight 329.46 g/mol
Molecular Formula C19H23NO2S
Exact Mass 329.14495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ejp4TSn2HE
Name 1-[(4-Butylphenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline
Comments Computed using HOSE algorithm
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Exact Mass 329.144950157 u
Formula C19H23NO2S
InChI InChI=1S/C19H23NO2S/c1-2-3-7-16-11-13-18(14-12-16)23(21,22)20-15-6-9-17-8-4-5-10-19(17)20/h4-5,8,10-14H,2-3,6-7,9,15H2,1H3
InChIKey JYDSDXAPZJQOCD-UHFFFAOYSA-N
Molecular Weight 329.458 g/mol
SMILES C=1C=CC=2N(S(C3=CC=C(C=C3)CCCC)(=O)=O)CCCC2C1