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Ethyl (2Z)-2-benzyl-3-phenyl-3-{[(trifluoromethyl)sulfonyl]-oxy}prop-2-enoate
SpectraBase Compound ID 64ZePyUWiJ
InChI InChI=1S/C19H17F3O5S/c1-2-26-18(23)16(13-14-9-5-3-6-10-14)17(15-11-7-4-8-12-15)27-28(24,25)19(20,21)22/h3-12H,2,13H2,1H3/b17-16-
InChIKey BSHALIYJTSXARX-MSUUIHNZSA-N
Mol Weight 414.4 g/mol
Molecular Formula C19H17F3O5S
Exact Mass 414.074879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dy4mMF0ahjG
Name Ethyl (2Z)-2-benzyl-3-phenyl-3-{[(trifluoromethyl)sulfonyl]-oxy}prop-2-enoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.074879305 u
Formula C19H17F3O5S
InChI InChI=1S/C19H17F3O5S/c1-2-26-18(23)16(13-14-9-5-3-6-10-14)17(15-11-7-4-8-12-15)27-28(24,25)19(20,21)22/h3-12H,2,13H2,1H3/b17-16-
InChIKey BSHALIYJTSXARX-MSUUIHNZSA-N
Molecular Weight 414.395 g/mol
SMILES C(\C(=C\(OS(C(F)(F)F)(=O)=O)C=1C=CC=CC1)CC=1C=CC=CC1)(=O)OCC