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(2-Butyl-1-benzothiophen-3-yl)(5'-fluoro-2',4-dimethoxy-1,1'-biphenyl-3-yl)methanone
SpectraBase Compound ID 1lsU8gRMaCQ
InChI InChI=1S/C27H25FO3S/c1-4-5-9-25-26(19-8-6-7-10-24(19)32-25)27(29)21-15-17(11-13-23(21)31-3)20-16-18(28)12-14-22(20)30-2/h6-8,10-16H,4-5,9H2,1-3H3
InChIKey XCMLDIZCEXPWPS-UHFFFAOYSA-N
Mol Weight 448.55 g/mol
Molecular Formula C27H25FO3S
Exact Mass 448.150844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7mnx7ZIPenq
Name (2-Butyl-1-benzothiophen-3-yl)(5'-fluoro-2',4-dimethoxy-1,1'-biphenyl-3-yl)methanone
Alternate Name(s) (2-butylbenzo[b]thiophen-3-yl)(5'-fluoro-2',4-dimethoxy-[1,1'-biphenyl]-3-yl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25FO3S
InChI InChI=1S/C27H25FO3S/c1-4-5-9-25-26(19-8-6-7-10-24(19)32-25)27(29)21-15-17(11-13-23(21)31-3)20-16-18(28)12-14-22(20)30-2/h6-8,10-16H,4-5,9H2,1-3H3
InChIKey XCMLDIZCEXPWPS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbdv.201200275
Molecular Weight 448.552 g/mol
SMILES C(=O)(c1cc(ccc1OC)-c1c(ccc(c1)F)OC)c1c(sc2c1cccc2)CCCC
SPLASH splash10-06ri-0940600000-0c91d5a510f3ab28eeff
Source of Spectrum CBD-9-2628-9f
Wiley ID 1771090