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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E6q5bIFrdKg
Name N-Benzyl-2-(phenylsulfonyl)cycloundecylcarboxamide isomer
Alternate Name(s) N-Benzyl-2-(phenylsulfonyl)cycloundecylcarboxamide N-benzyl-2-(phenylsulfonyl)cycloundecanecarboxamide
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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 N(C(C1C(CCCCCCCCC1)S(=O)(=O)c1ccccc1)=O)Cc1ccccc1
SPLASH splash10-0a4i-0920000000-0a771ede177b8c8f4bdd
Source of Spectrum AJ-66-2345-5
Wiley ID 772160