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N-t-Butyl-2-(phenylsulfonyl)cycloundecylcarboxamide isomer
SpectraBase Compound ID CC3XyZBuQ2b
InChI InChI=1S/C22H35NO3S/c1-22(2,3)23-21(24)19-16-12-7-5-4-6-8-13-17-20(19)27(25,26)18-14-10-9-11-15-18/h9-11,14-15,19-20H,4-8,12-13,16-17H2,1-3H3,(H,23,24)
InChIKey GKUARBYWXXAVFW-UHFFFAOYSA-N
Mol Weight 393.6 g/mol
Molecular Formula C22H35NO3S
Exact Mass 393.233765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I0UANTN1mH9
Name N-t-Butyl-2-(phenylsulfonyl)cycloundecylcarboxamide isomer
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Formula C22H35NO3S
InChI InChI=1S/C22H35NO3S/c1-22(2,3)23-21(24)19-16-12-7-5-4-6-8-13-17-20(19)27(25,26)18-14-10-9-11-15-18/h9-11,14-15,19-20H,4-8,12-13,16-17H2,1-3H3,(H,23,24)
InChIKey GKUARBYWXXAVFW-UHFFFAOYSA-N
Molecular Weight 393.586 g/mol
SMILES N(C(C1C(S(=O)(=O)c2ccccc2)CCCCCCCCC1)=O)C(C)(C)C
SPLASH splash10-004i-0923000000-9b1e447a5e1fb7b42aeb
Source of Spectrum AJ-66-2345-5
Synonyms N-(tert-butyl)-2-(phenylsulfonyl)cycloundecanecarboxamide
Wiley ID 772158