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Spiro[benzofuran-3,3'-5'-methylene-N-(phenylsulfonyl)-1'-oxa-7'-azacyclododecane]
SpectraBase Compound ID 3COOBGtq7YT
InChI InChI=1S/C24H29NO4S/c1-20-16-24(19-29-23-13-7-6-12-22(23)24)18-28-15-9-3-8-14-25(17-20)30(26,27)21-10-4-2-5-11-21/h2,4-7,10-13H,1,3,8-9,14-19H2
InChIKey REHUWFNBPUAMHE-UHFFFAOYSA-N
Mol Weight 427.56 g/mol
Molecular Formula C24H29NO4S
Exact Mass 427.18173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Da8ZQvqGnhv
Name Spiro[benzofuran-3,3'-5'-methylene-N-(phenylsulfonyl)-1'-oxa-7'-azacyclododecane]
Alternate Name(s) 11'-methylidene-9'-phenylsulfonyl-spiro[1-benzofuran-3,1'-[3]oxa[9]azacyclododecane] 9'-(benzenesulfonyl)-11'-methylidene-2H-3'-oxa-9'-azaspiro[1-benzofuran-3,1'-cyclododecane]
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Formula C24H29NO4S
InChI InChI=1S/C24H29NO4S/c1-20-16-24(19-29-23-13-7-6-12-22(23)24)18-28-15-9-3-8-14-25(17-20)30(26,27)21-10-4-2-5-11-21/h2,4-7,10-13H,1,3,8-9,14-19H2
InChIKey REHUWFNBPUAMHE-UHFFFAOYSA-N
Molecular Weight 427.559 g/mol
SMILES C1N(S(=O)(=O)c2ccccc2)CCCCCOCC2(CC1=C)c1c(cccc1)OC2
SPLASH splash10-003r-5910100000-e599b9960370a1795688
Source of Spectrum F-56-7547-10
Wiley ID 858505