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3'-Butoxy-2'-[(4-methylphenyl)sulfonyl]spiro[9H-fluorene-9,5'-isothiazolidine
SpectraBase Compound ID JLYP1LEps0C
InChI InChI=1S/C26H27NO3S2/c1-3-4-17-30-25-18-26(31-27(25)32(28,29)20-15-13-19(2)14-16-20)23-11-7-5-9-21(23)22-10-6-8-12-24(22)26/h5-16,25H,3-4,17-18H2,1-2H3
InChIKey LRUPTEUGTMFHGN-UHFFFAOYSA-N
Mol Weight 465.63 g/mol
Molecular Formula C26H27NO3S2
Exact Mass 465.143236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DWfmj9nlREW
Name 3'-Butoxy-2'-[(4-methylphenyl)sulfonyl]spiro[9H-fluorene-9,5'-isothiazolidine
Alternate Name(s) 4'-butoxy-5'-[(4-methylbenzene)sulfonyl]spiro[fluorene-9,2'-[1,5]thiazolidine]
CAS Registry Number 68380-37-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27NO3S2
InChI InChI=1S/C26H27NO3S2/c1-3-4-17-30-25-18-26(31-27(25)32(28,29)20-15-13-19(2)14-16-20)23-11-7-5-9-21(23)22-10-6-8-12-24(22)26/h5-16,25H,3-4,17-18H2,1-2H3
InChIKey LRUPTEUGTMFHGN-UHFFFAOYSA-N
Molecular Weight 465.626 g/mol
SMILES c1(S(N2SC3(c4c(cccc4)-c4c3cccc4)CC2OCCCC)(=O)=O)ccc(cc1)C
SPLASH splash10-0udi-0091100000-25f0c9a6d97c7bdfd039
Source of Spectrum J-44-2496-0
Wiley ID 1391724