1-[m-(methylthio)phenyl]-3-(alpha-phosphonovanillyl)urea, diphenyl ester

SpectraBase Compound ID	EAR39vmzeb2
InChI	InChI=1S/C28H27N2O6PS/c1-34-26-18-20(16-17-25(26)31)27(30-28(32)29-21-10-9-15-24(19-21)38-2)37(33,35-22-11-5-3-6-12-22)36-23-13-7-4-8-14-23/h3-19,27,31H,1-2H3,(H2,29,30,32)
InChIKey	WOXIWTBBWARGOB-UHFFFAOYSA-N Google Search
Mol Weight	550.57 g/mol
Molecular Formula	C28H27N2O6PS
Exact Mass	550.132745 g/mol

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SpectraBase Spectrum ID	BusDiVjt5VU
Name	1-[m-(METHYLTHIO)PHENYL]-3-(alpha-PHOSPHONOVANILLYL)UREA, DIPHENYL ESTER
Source of Sample	MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number	35 H
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H27N2O6PS
InChI	InChI=1S/C28H27N2O6PS/c1-34-26-18-20(16-17-25(26)31)27(30-28(32)29-21-10-9-15-24(19-21)38-2)37(33,35-22-11-5-3-6-12-22)36-23-13-7-4-8-14-23/h3-19,27,31H,1-2H3,(H2,29,30,32)
InChIKey	WOXIWTBBWARGOB-UHFFFAOYSA-N
Melting Point	158C
Molecular Weight	550.562012
Synonyms	PHOSPHONIC ACID, /A-/3-/M-/METHYL- THIO/PHENYL/UREIDO/VANILLYL/-, DIPHENYL ESTER {alpha-{3-[m-(METHYLTHIO)PHENYL]UREIDO}VANILLYL}PHOSPHONIC ACID, DIPHENYL ESTER UREA, 1-/M-/METHYLTHIO/PHENYL/- 3-/A-PHOSPHONOVANILLYL/-, DIPHENYL ESTER
Technique	KBr WAFER