(1R,2S,2'R)-1-[(Diethoxyphosphoryl)difluoromethyl]-2-(4-methylphenylthio)pent-4-enyl 2'-phenylpropionate

SpectraBase Compound ID	JmvNilmICcr
InChI	InChI=1S/C26H33F2O5PS/c1-6-12-23(35-22-17-15-19(4)16-18-22)24(26(27,28)34(30,31-7-2)32-8-3)33-25(29)20(5)21-13-10-9-11-14-21/h6,9-11,13-18,20,23-24H,1,7-8,12H2,2-5H3/t20-,23+,24+/m1/s1
InChIKey	FGSIYMXYJHPSRQ-QDSKXPNFSA-N Google Search
Mol Weight	526.6 g/mol
Molecular Formula	C26H33F2O5PS
Exact Mass	526.175439 g/mol

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SpectraBase Spectrum ID	tnNACx2JxF
Name	(1R,2S,2'R)-1-[(Diethoxyphosphoryl)difluoromethyl]-2-(4-methylphenylthio)pent-4-enyl 2'-phenylpropionate
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	526.175438656 u
Formula	C26H33F2O5PS
InChI	InChI=1S/C26H33F2O5PS/c1-6-12-23(35-22-17-15-19(4)16-18-22)24(26(27,28)34(30,31-7-2)32-8-3)33-25(29)20(5)21-13-10-9-11-14-21/h6,9-11,13-18,20,23-24H,1,7-8,12H2,2-5H3/t20-,23+,24+/m1/s1
InChIKey	FGSIYMXYJHPSRQ-QDSKXPNFSA-N
Molecular Weight	526.576 g/mol
SMILES	C([C@@](OC([C@@](C=1C=CC=CC1)(C)[H])=O)([C@@](SC1=CC=C(C=C1)C)(CC=C)[H])[H])(P(=O)(OCC)OCC)(F)F