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Methyl 2-(N-tert-butoxycarbonyl-p-toluenesulfonamidoethyl)-3,3-difluoroacrylate
SpectraBase Compound ID HVwTuX5sd3C
InChI InChI=1S/C18H23F2NO6S/c1-12-6-8-13(9-7-12)28(24,25)21(17(23)27-18(2,3)4)11-10-14(15(19)20)16(22)26-5/h6-9H,10-11H2,1-5H3
InChIKey CWSIWNVZOLNASF-UHFFFAOYSA-N
Mol Weight 419.44 g/mol
Molecular Formula C18H23F2NO6S
Exact Mass 419.121415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ne7YKHsfs1
Name Methyl 2-(N-tert-butoxycarbonyl-p-toluenesulfonamidoethyl)-3,3-difluoroacrylate
Comments Note: The molecular formula of the structure shown is C18H23F2NO6S - which differs from the formula reported for the mass spectrum (C18H25F2NO6S)
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Formula C18H25F2NO6S
InChI InChI=1S/C18H23F2NO6S/c1-12-6-8-13(9-7-12)28(24,25)21(17(23)27-18(2,3)4)11-10-14(15(19)20)16(22)26-5/h6-9H,10-11H2,1-5H3
InChIKey CWSIWNVZOLNASF-UHFFFAOYSA-N
Molecular Weight 419.440 g/mol
SMILES C(C)(C)(C)OC(=O)N(S(=O)(=O)c1ccc(cc1)C)CCC(C(=O)OC)=C(F)F
SPLASH splash10-0a4i-4902000000-100cc6ea8cffd2c23cca
Source of Spectrum C5-2002-1931-20
Wiley ID 1614989