[hydroxy(4-phenylbutyl)phosphinyl]acetic acid, ester with mandelic acid, methyl ester

SpectraBase Compound ID	C9cpROz1a3E
InChI	InChI=1S/C21H25O6P/c1-26-21(23)20(18-13-6-3-7-14-18)27-19(22)16-28(24,25)15-9-8-12-17-10-4-2-5-11-17/h2-7,10-11,13-14,20H,8-9,12,15-16H2,1H3,(H,24,25)
InChIKey	GKRSHTMKXVOGPF-UHFFFAOYSA-N Google Search
Mol Weight	404.4 g/mol
Molecular Formula	C21H25O6P
Exact Mass	404.138876 g/mol

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SpectraBase Spectrum ID	3MypitbcJFg
Name	[HYDROXY(4-PHENYLBUTYL)PHOSPHINYL]ACETIC ACID, ESTER WITHMANDELIC ACID, METHYL ESTER
Source of Sample	J. K. Thottathil, Squibb Institute For Medical Research, Princeton, New Jersey
Comments	Tentative assignment; Impurities
Copyright	Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H25O6P
InChI	InChI=1S/C21H25O6P/c1-26-21(23)20(18-13-6-3-7-14-18)27-19(22)16-28(24,25)15-9-8-12-17-10-4-2-5-11-17/h2-7,10-11,13-14,20H,8-9,12,15-16H2,1H3,(H,24,25)
InChIKey	GKRSHTMKXVOGPF-UHFFFAOYSA-N
Melting Point	106-107C
Molecular Weight	404.40
Solvent	Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms	ACETIC ACID, /HYDROXY/4-PHENYLBUTYL/PHOSPHINYL/-, ESTER WITH MANDELIC ACID, METHYL ESTER