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Spiro[benzofuran-3,3'-5'-methylene-N-(phenylsulfonyl)-1'-oxa-7'-azacyclotridecane]
SpectraBase Compound ID LCPuC16tCl8
InChI InChI=1S/C25H31NO4S/c1-21-17-25(20-30-24-14-8-7-13-23(24)25)19-29-16-10-3-2-9-15-26(18-21)31(27,28)22-11-5-4-6-12-22/h4-8,11-14H,1-3,9-10,15-20H2
InChIKey PDVWOYMWQNVXEA-UHFFFAOYSA-N
Mol Weight 441.59 g/mol
Molecular Formula C25H31NO4S
Exact Mass 441.19738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HjAPqPooZ45
Name Spiro[benzofuran-3,3'-5'-methylene-N-(phenylsulfonyl)-1'-oxa-7'-azacyclotridecane]
Alternate Name(s) 10'-(benzenesulfonyl)-12'-methylidene-2H-3'-oxa-10'-azaspiro[1-benzofuran-3,1'-cyclotridecane] 12'-methylidene-10'-phenylsulfonyl-spiro[1-benzofuran-3,1'-[3]oxa[10]azacyclotridecane]
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Formula C25H31NO4S
InChI InChI=1S/C25H31NO4S/c1-21-17-25(20-30-24-14-8-7-13-23(24)25)19-29-16-10-3-2-9-15-26(18-21)31(27,28)22-11-5-4-6-12-22/h4-8,11-14H,1-3,9-10,15-20H2
InChIKey PDVWOYMWQNVXEA-UHFFFAOYSA-N
Molecular Weight 441.586 g/mol
SMILES C1N(S(=O)(=O)c2ccccc2)CCCCCCOCC2(CC1=C)c1c(cccc1)OC2
SPLASH splash10-0udi-0290100000-61607d30a42934fa50b8
Source of Spectrum F-56-7547-10
Wiley ID 858504