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N-Benzyl-2-(phenylsulfonyl)cycloundecylcarboxamide isomer

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N-Benzyl-2-(phenylsulfonyl)cycloundecylcarboxamide isomer
SpectraBase Compound ID E9HpUPJehL0
InChI InChI=1S/C25H33NO3S/c27-25(26-20-21-14-8-6-9-15-21)23-18-12-4-2-1-3-5-13-19-24(23)30(28,29)22-16-10-7-11-17-22/h6-11,14-17,23-24H,1-5,12-13,18-20H2,(H,26,27)
InChIKey MITWKAICZAVCGR-UHFFFAOYSA-N
Mol Weight 427.6 g/mol
Molecular Formula C25H33NO3S
Exact Mass 427.218115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7r0URozNCyO
Name N-Benzyl-2-(phenylsulfonyl)cycloundecylcarboxamide isomer
Comments Computed using HOSE algorithm
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Exact Mass 427.218115098 u
Formula C25H33NO3S
InChI InChI=1S/C25H33NO3S/c27-25(26-20-21-14-8-6-9-15-21)23-18-12-4-2-1-3-5-13-19-24(23)30(28,29)22-16-10-7-11-17-22/h6-11,14-17,23-24H,1-5,12-13,18-20H2,(H,26,27)
InChIKey MITWKAICZAVCGR-UHFFFAOYSA-N
Molecular Weight 427.603 g/mol
SMILES C1(S(=O)(=O)C2=CC=CC=C2)C(C(NCC2=CC=CC=C2)=O)CCCCCCCCC1