L-1-(p-TOLYLSULFONYL)PROLINE, 9-ANTHRYLMETHYL ESTER, HEMIETHANOLATE

SpectraBase Compound ID	5cfgRQ4d8dY
InChI	InChI=1S/2C27H25NO4S.C2H6O/c21-19-12-14-22(15-13-19)33(30,31)28-16-6-11-26(28)27(29)32-18-25-23-9-4-2-7-20(23)17-21-8-3-5-10-24(21)25;1-2-3/h22-5,7-10,12-15,17,26H,6,11,16,18H2,1H3;3H,2H2,1H3
InChIKey	CDWCYAZSGIEWIF-UHFFFAOYSA-N Google Search
Mol Weight	482.59 g/mol
Molecular Formula	C27H25NO4S·½C2H6O
Exact Mass	482.171362 g/mol

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SpectraBase Spectrum ID	AninPbxOUtd
Name	L-1-(p-TOLYLSULFONYL)PROLINE, 9-ANTHRYLMETHYL ESTER, HEMIETHANOLATE
Source of Sample	F. H. C. Stewart, Csiro, Melbourne, Australia
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C56H56N2O9S2
InChI	InChI=1S/2C27H25NO4S.C2H6O/c21-19-12-14-22(15-13-19)33(30,31)28-16-6-11-26(28)27(29)32-18-25-23-9-4-2-7-20(23)17-21-8-3-5-10-24(21)25;1-2-3/h22-5,7-10,12-15,17,26H,6,11,16,18H2,1H3;3H,2H2,1H3
InChIKey	CDWCYAZSGIEWIF-UHFFFAOYSA-N
Literature Reference	Abstract-Chemical Abstracts= 64, 3678(1966)
Melting Point	102-103C
Molecular Weight	965.189026
Optical Properties	Optical Rotation= (21C) -89.8 DEG (c=2.0, DMF)
Synonyms	PROLINE, 1-/P-TOLYLSULFONYL/-, 9- ANTHRYLMETHYL ESTER, HEMIETHANOLATE, L-/MINUS/-,
Technique	KBr WAFER