For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Ethyl 4-phenyl-4-[(toluenesulfonyl)amino]-3,3-difluoro-2-(benzoyloxy)-1'-butenoate
SpectraBase Compound ID 6fMIjvFU6hm
InChI InChI=1S/C27H27F2NO5S/c1-3-34-25(31)18-24(35-19-21-10-6-4-7-11-21)27(28,29)26(22-12-8-5-9-13-22)30-36(32,33)23-16-14-20(2)15-17-23/h4-18,26,30H,3,19H2,1-2H3/b24-18-
InChIKey REHRTBHXNAMOML-MOHJPFBDSA-N
Mol Weight 515.57 g/mol
Molecular Formula C27H27F2NO5S
Exact Mass 515.1578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9qH3gfLq5Eb
Name Ethyl 4-phenyl-4-[(toluenesulfonyl)amino]-3,3-difluoro-2-(benzoyloxy)-1'-butenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27F2NO5S
InChI InChI=1S/C27H27F2NO5S/c1-3-34-25(31)18-24(35-19-21-10-6-4-7-11-21)27(28,29)26(22-12-8-5-9-13-22)30-36(32,33)23-16-14-20(2)15-17-23/h4-18,26,30H,3,19H2,1-2H3/b24-18-
InChIKey REHRTBHXNAMOML-MOHJPFBDSA-N
Molecular Weight 515.572 g/mol
SMILES N(C(C(\C(=C\C(=O)OCC)OCc1ccccc1)(F)F)c1ccccc1)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0006-9121000000-5b0b9d9019fb0e09adee
Source of Spectrum HE-2006-299-4
Synonyms Ethyl (2Z)-3-(benzyloxy)-4,4-difluoro-5-{[(4-methylphenyl)sulfonyl]amino}-5-phenyl-2-pentenoate
Wiley ID 1613903