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Ethyl N-2-[(3,4-Dimethoxyphenyl)ethyl]-N-(trifluoromethanesulfonylamino)propanoate
SpectraBase Compound ID 4WPFIxeE71c
InChI InChI=1S/C16H22F3NO6S/c1-5-26-15(21)11(2)20(27(22,23)16(17,18)19)9-8-12-6-7-13(24-3)14(10-12)25-4/h6-7,10-11H,5,8-9H2,1-4H3
InChIKey XMPUIECVDIAUGE-UHFFFAOYSA-N
Mol Weight 413.41 g/mol
Molecular Formula C16H22F3NO6S
Exact Mass 413.111993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HsicXQ6vrmX
Name Ethyl N-2-[(3,4-Dimethoxyphenyl)ethyl]-N-(trifluoromethanesulfonylamino)propanoate
Alternate Name(s) ethyl 2-{[2-(3,4-dimethoxyphenyl)ethyl][(trifluoromethyl)sulfonyl]amino}propanoate N-2-[(3,4-Dimethoxyphenyl)ethyl]-N-(trifluoromethanesulfonylamido)propanoate
Comments Less than 3 mono-isotopic peaks
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Formula C16H22F3NO6S
InChI InChI=1S/C16H22F3NO6S/c1-5-26-15(21)11(2)20(27(22,23)16(17,18)19)9-8-12-6-7-13(24-3)14(10-12)25-4/h6-7,10-11H,5,8-9H2,1-4H3
InChIKey XMPUIECVDIAUGE-UHFFFAOYSA-N
Molecular Weight 413.408 g/mol
SMILES C(N(S(C(F)(F)F)(=O)=O)CCc1cc(OC)c(cc1)OC)(C(=O)OCC)C
SPLASH splash10-0udi-0900100000-d73b6239de1d25997a44
Source of Spectrum H1-45-1125-5
Wiley ID 758314