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Methyl 4-[(2,2-difluoro-3,3-dimethylcyclopropylidene)(tolyl-4-sulfonyl)methyl]benzoate
SpectraBase Compound ID 9mU78iJsOJl
InChI InChI=1S/C21H20F2O4S/c1-13-5-11-16(12-6-13)28(25,26)17(18-20(2,3)21(18,22)23)14-7-9-15(10-8-14)19(24)27-4/h5-12H,1-4H3/b18-17+
InChIKey MBLCLIWSJVYANG-ISLYRVAYSA-N
Mol Weight 406.44 g/mol
Molecular Formula C21H20F2O4S
Exact Mass 406.105037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 27nEpynQ3D7
Name Methyl 4-[(2,2-difluoro-3,3-dimethylcyclopropylidene)(tolyl-4-sulfonyl)methyl]benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C21H20F2O4S
InChI InChI=1S/C21H20F2O4S/c1-13-5-11-16(12-6-13)28(25,26)17(18-20(2,3)21(18,22)23)14-7-9-15(10-8-14)19(24)27-4/h5-12H,1-4H3/b18-17+
InChIKey MBLCLIWSJVYANG-ISLYRVAYSA-N
Molecular Weight 406.444 g/mol
SMILES C1(\C(C1(C)C)=C/(S(c1ccc(cc1)C)(=O)=O)c1ccc(C(=O)OC)cc1)(F)F
SPLASH splash10-03di-0900000000-32fc37e16220b0b967d4
Source of Spectrum K1-0-5586-4
Synonyms 4-[(E)-(2,2-difluoro-3,3-dimethylcyclopropylidene)-(4-methylphenyl)sulfonylmethyl]benzoic acid methyl ester methyl 4-[(E)-(2,2-difluoro-3,3-dimethylcyclopropylidene)-(4-methylphenyl)sulfonylmethyl]benzoate methyl 4-[(E)-(2,2-difluoro-3,3-dimethyl-cyclopropylidene)-(p-tolylsulfonyl)methyl]benzoate methyl 4-[(E)-[2,2-bis(fluoranyl)-3,3-dimethyl-cyclopropylidene]-(4-methylphenyl)sulfonyl-methyl]benzoate
Wiley ID 1589836