p-{4-{2-[p-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}-3-nitro-benzamido}benzenesulfonic acid, 2-phenoxyethyl ester

SpectraBase Compound ID	5MHqnUR2Nj7
InChI	InChI=1S/C37H42N2O9S/c1-36(2,3)26-37(4,5)28-12-16-31(17-13-28)45-21-22-47-34-20-11-27(25-33(34)39(41)42)35(40)38-29-14-18-32(19-15-29)49(43,44)48-24-23-46-30-9-7-6-8-10-30/h6-20,25H,21-24,26H2,1-5H3,(H,38,40)
InChIKey	CRDKNNFEDRYQDG-UHFFFAOYSA-N Google Search
Mol Weight	690.8 g/mol
Molecular Formula	C37H42N2O9S
Exact Mass	690.261102 g/mol

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SpectraBase Spectrum ID	EjvZ17jYsfq
Name	p-{4-{2-[p-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}-3-NITROBENZAMIDO}BENZENESULFONIC ACID, 2-PHENOXYETHYL ESTER
Source of Sample	Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number	S63019
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C37H42N2O9S
InChI	InChI=1S/C37H42N2O9S/c1-36(2,3)26-37(4,5)28-12-16-31(17-13-28)45-21-22-47-34-20-11-27(25-33(34)39(41)42)35(40)38-29-14-18-32(19-15-29)49(43,44)48-24-23-46-30-9-7-6-8-10-30/h6-20,25H,21-24,26H2,1-5H3,(H,38,40)
InChIKey	CRDKNNFEDRYQDG-UHFFFAOYSA-N
Molecular Weight	690.807983
Synonyms	BENZENESULFONIC ACID, P-/4-/2-/P- /1,1,3,3-TETRAMETHYLBUTYL/PHENOXY/- ETHOXY/-3-NITROBENZAMIDO/-, 2-PHENOXY- ETHYL ESTER
Technique	KBr WAFER