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

*Links on SpectraBase are not permalinks.
2-phenylacetic acid [(1S,2R)-2-(benzyloxycarbonylamino)-3,3-difluoro-2-[(4-methylphenyl)thio]-1-phenyl-propyl] ester
SpectraBase Compound ID 9R4h5vcZn0E
InChI InChI=1S/C32H29F2NO4S/c1-23-17-19-27(20-18-23)40-32(30(33)34,35-31(37)38-22-25-13-7-3-8-14-25)29(26-15-9-4-10-16-26)39-28(36)21-24-11-5-2-6-12-24/h2-20,29-30H,21-22H2,1H3,(H,35,37)/t29-,32+/m0/s1
InChIKey IVSNLJGOKJRTGU-BHDXBOSCSA-N
Mol Weight 561.6 g/mol
Molecular Formula C32H29F2NO4S
Exact Mass 561.178536 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID CgWE4DK8RtD
Name 2-phenylacetic acid [(1S,2R)-2-(benzyloxycarbonylamino)-3,3-difluoro-2-[(4-methylphenyl)thio]-1-phenyl-propyl] ester
Compound Number (1-S,2-R)-8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H29F2NO4S
InChI InChI=1S/C32H29F2NO4S/c1-23-17-19-27(20-18-23)40-32(30(33)34,35-31(37)38-22-25-13-7-3-8-14-25)29(26-15-9-4-10-16-26)39-28(36)21-24-11-5-2-6-12-24/h2-20,29-30H,21-22H2,1H3,(H,35,37)/t29-,32+/m0/s1
InChIKey IVSNLJGOKJRTGU-BHDXBOSCSA-N
Literature Reference Author A.VOLONTERIO,B.VERGANI,M.CRUCIANELLI,M.ZANDA,P.BRAVO
Literature Reference Citation J.ORG.CHEM.,63,7236(1998)
Literature Reference DOI 10.1021/jo980602p
Solvent CDCl3
Source File Reference UWMZ26169