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3-(N-(3,4-Dimethoxyphenylmethyl)-N-methoxycarbonylamido)-4-phenyl-1,1,1-trifluoro-2-butanone
SpectraBase Compound ID CUePFBc9Mb7
InChI InChI=1S/C21H22F3NO5/c1-28-17-10-9-15(12-18(17)29-2)13-25(20(27)30-3)16(19(26)21(22,23)24)11-14-7-5-4-6-8-14/h4-10,12,16H,11,13H2,1-3H3
InChIKey BXXCLBPVNPUXNO-UHFFFAOYSA-N
Mol Weight 425.4 g/mol
Molecular Formula C21H22F3NO5
Exact Mass 425.145007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4m4T76D3t6H
Name 3-(N-(3,4-Dimethoxyphenylmethyl)-N-methoxycarbonylamido)-4-phenyl-1,1,1-trifluoro-2-butanone
Alternate Name(s) N-[(3,4-dimethoxyphenyl)methyl]-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)carbamic acid methyl ester methyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)carbamate methyl N-(1-benzyl-3,3,3-trifluoro-2-oxo-propyl)-N-[(3,4-dimethoxyphenyl)methyl]carbamate methyl N-[(3,4-dimethoxyphenyl)methyl]-N-[4,4,4-tris(fluoranyl)-3-oxidanylidene-1-phenyl-butan-2-yl]carbamate
Comments Less than 3 mono-isotopic peaks
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Formula C21H22F3NO5
InChI InChI=1S/C21H22F3NO5/c1-28-17-10-9-15(12-18(17)29-2)13-25(20(27)30-3)16(19(26)21(22,23)24)11-14-7-5-4-6-8-14/h4-10,12,16H,11,13H2,1-3H3
InChIKey BXXCLBPVNPUXNO-UHFFFAOYSA-N
Molecular Weight 425.404 g/mol
SMILES C(C(N(C(=O)OC)Cc1cc(OC)c(cc1)OC)Cc1ccccc1)(C(F)(F)F)=O
SPLASH splash10-0udi-0900400000-c688c47117c16e0445f2
Source of Spectrum E2-48-118-2
Wiley ID 1555030