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3-(9-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)propyl 4-methylbenzenesulfonate

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3-(9-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)propyl 4-methylbenzenesulfonate
SpectraBase Compound ID LyPtrqdzmLS
InChI InChI=1S/C23H27NO3S/c1-17-12-14-19(15-13-17)28(25,26)27-16-6-8-18-7-5-10-21-20-9-3-4-11-22(20)24(2)23(18)21/h3-4,9,11-15,18H,5-8,10,16H2,1-2H3
InChIKey ULQRUGNRXXIZPN-UHFFFAOYSA-N
Mol Weight 397.53 g/mol
Molecular Formula C23H27NO3S
Exact Mass 397.171165 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A2qiG8O6d4r
Name 3-(9-Methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)propyl 4-methylbenzenesulfonate
Comments Computed using HOSE algorithm
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Exact Mass 397.171164904 u
Formula C23H27NO3S
InChI InChI=1S/C23H27NO3S/c1-17-12-14-19(15-13-17)28(25,26)27-16-6-8-18-7-5-10-21-20-9-3-4-11-22(20)24(2)23(18)21/h3-4,9,11-15,18H,5-8,10,16H2,1-2H3
InChIKey ULQRUGNRXXIZPN-UHFFFAOYSA-N
Molecular Weight 397.533 g/mol
SMILES C=1C=CC2=C(N(C3=C2CCCC3CCCOS(C2=CC=C(C=C2)C)(=O)=O)C)C1