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9H-carbazole, 9-ethyl-3-[[4-[(4-methoxyphenyl)sulfonyl]-1-piperazinyl]methyl]-
SpectraBase Compound ID ALLlndbzJRT
InChI InChI=1S/C26H29N3O3S/c1-3-29-25-7-5-4-6-23(25)24-18-20(8-13-26(24)29)19-27-14-16-28(17-15-27)33(30,31)22-11-9-21(32-2)10-12-22/h4-13,18H,3,14-17,19H2,1-2H3
InChIKey MDQORZBNUYZLGP-UHFFFAOYSA-N
Mol Weight 463.6 g/mol
Molecular Formula C26H29N3O3S
Exact Mass 463.192963 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8c368lCWwYt
Name 9H-Carbazole, 9-ethyl-3-[[4-[(4-methoxyphenyl)sulfonyl]-1-piperazinyl]methyl]-
Comments Computed using HOSE algorithm
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Exact Mass 463.192962977 u
Formula C26H29N3O3S
InChI InChI=1S/C26H29N3O3S/c1-3-29-25-7-5-4-6-23(25)24-18-20(8-13-26(24)29)19-27-14-16-28(17-15-27)33(30,31)22-11-9-21(32-2)10-12-22/h4-13,18H,3,14-17,19H2,1-2H3
InChIKey MDQORZBNUYZLGP-UHFFFAOYSA-N
Molecular Weight 463.596 g/mol
SMILES C=1C=CC2=C(C=3C=C(CN4CCN(S(C5=CC=C(C=C5)OC)(=O)=O)CC4)C=CC3N2CC)C1