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Ethyl .alpha.-N-(Benzyloxycarbonyl)-3-(phenyloxyphenylsulfonyl)-.alpha.-trifluoromethylpropanoate
SpectraBase Compound ID 1xkG0MQiQ1p
InChI InChI=1S/C26H24F3NO7S/c1-2-35-23(31)25(26(27,28)29,30-24(32)36-17-19-9-5-3-6-10-19)18-38(33,34)22-15-13-21(14-16-22)37-20-11-7-4-8-12-20/h3-16H,2,17-18H2,1H3,(H,30,32)
InChIKey DFFCPKZLINKEOL-UHFFFAOYSA-N
Mol Weight 551.53 g/mol
Molecular Formula C26H24F3NO7S
Exact Mass 551.122558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ES4oJQebkSs
Name Ethyl .alpha.-N-(Benzyloxycarbonyl)-3-(phenyloxyphenylsulfonyl)-.alpha.-trifluoromethylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24F3NO7S
InChI InChI=1S/C26H24F3NO7S/c1-2-35-23(31)25(26(27,28)29,30-24(32)36-17-19-9-5-3-6-10-19)18-38(33,34)22-15-13-21(14-16-22)37-20-11-7-4-8-12-20/h3-16H,2,17-18H2,1H3,(H,30,32)
InChIKey DFFCPKZLINKEOL-UHFFFAOYSA-N
Molecular Weight 551.533 g/mol
SMILES N(C(CS(c1ccc(Oc2ccccc2)cc1)(=O)=O)(C(F)(F)F)C(=O)OCC)C(=O)OCc1ccccc1
SPLASH splash10-052f-9720000000-f7d11682799851dd285c
Source of Spectrum Y1-46-6518-5
Wiley ID 1622633