4-cyano-2-[2-(methylsulfonyl)ethyl]-2-(2,4,6-trimethylbenzamido)butyric acid

SpectraBase Compound ID	A6sAhdoYmB6
InChI	InChI=1S/C18H24N2O5S/c1-12-10-13(2)15(14(3)11-12)16(21)20-18(17(22)23,6-5-8-19)7-9-26(4,24)25/h10-11H,5-7,9H2,1-4H3,(H,20,21)(H,22,23)
InChIKey	HJZQYQWJYYNKRU-UHFFFAOYSA-N Google Search
Mol Weight	380.46 g/mol
Molecular Formula	C18H24N2O5S
Exact Mass	380.140593 g/mol

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SpectraBase Spectrum ID	EQ1Eq2u2ycy
Name	4-CYANO-2-[2-(METHYLSULFONYL)ETHYL]-2-(2,4,6-TRIMETHYLBENZAMIDO)BUTYRIC ACID
Source of Sample	W. STEGLICH, UNIVERSITY OF BONN, BONN, GERMANY
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H24N2O5S
InChI	InChI=1S/C18H24N2O5S/c1-12-10-13(2)15(14(3)11-12)16(21)20-18(17(22)23,6-5-8-19)7-9-26(4,24)25/h10-11H,5-7,9H2,1-4H3,(H,20,21)(H,22,23)
InChIKey	HJZQYQWJYYNKRU-UHFFFAOYSA-N
Literature Reference	CHEM. BER. 114, 2580(1981) Abstract-Chemical Abstracts= 95, 169043(1981)
Melting Point	107-109C
Molecular Weight	380.459015
Synonyms	BUTYRIC ACID, 2-/2-CYANOETHYL/- 4-/METHYLSULFONYL/-2-/2,4,6-TRIMETHYL- BENZAMIDO/-, BUTYRIC ACID, 4-CYANO-2-/2-/METHYL- SULFONYL/ETHYL/-2-/2,4,6-TRIMETHYL- BENZAMIDO/-,
Technique	KBr WAFER