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alpha-cyano-9-xantheneacetic acid, 2-(diethylamino)ethyl ester, picrate
SpectraBase Compound ID IK40eh4zfNR
InChI InChI=1S/C22H24N2O3.C6H3N3O7/c1-3-24(4-2)13-14-26-22(25)18(15-23)21-16-9-5-7-11-19(16)27-20-12-8-6-10-17(20)21;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-12,18,21H,3-4,13-14H2,1-2H3;1-2,10H
InChIKey XSMJOSVJUFQWLA-UHFFFAOYSA-N
Mol Weight 593.55 g/mol
Molecular Formula C28H27N5O10
Exact Mass 593.175792 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID EhqaSqEeI9G
Name alpha-CYANOXANTHENE-9-ACETIC ACID, 2-(DIETHYLAMINO)ETHYL ESTER, PICRATE
Source of Sample T. Matsuno, Osaka College of Pharmacy, Osaka, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H27N5O10
InChI InChI=1S/C22H24N2O3.C6H3N3O7/c1-3-24(4-2)13-14-26-22(25)18(15-23)21-16-9-5-7-11-19(16)27-20-12-8-6-10-17(20)21;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-12,18,21H,3-4,13-14H2,1-2H3;1-2,10H
InChIKey XSMJOSVJUFQWLA-UHFFFAOYSA-N
Melting Point 128-129C
Molecular Weight 593.549011
Synonyms 9-XANTHENEACETIC ACID, A-CYANO-, 2- DIETHYLAMINOETHYL ESTER, PICRATE
Technique KBr WAFER