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N-(2-Cyanoethyl)-N-(2-acetoxyethyl)-3-acetylamino-4-(2-chloro-4-nitrophenylazo)-aniline
SpectraBase Compound ID J8otnbnVxjz
InChI InChI=1S/C21H21ClN6O5/c1-14(29)24-21-13-16(27(9-3-8-23)10-11-33-15(2)30)4-7-20(21)26-25-19-6-5-17(28(31)32)12-18(19)22/h4-7,12-13H,3,9-11H2,1-2H3,(H,24,29)/b26-25+
InChIKey UYRHHMBFMQRBGX-OCEACIFDSA-N
Mol Weight 472.89 g/mol
Molecular Formula C21H21ClN6O5
Exact Mass 472.126195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKD7Jrohfba
Name N-(2-Cyanoethyl)-N-(2-acetoxyethyl)-3-acetylamino-4-(2-chloro-4-nitrophenylazo)-aniline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21ClN6O5
InChI InChI=1S/C21H21ClN6O5/c1-14(29)24-21-13-16(27(9-3-8-23)10-11-33-15(2)30)4-7-20(21)26-25-19-6-5-17(28(31)32)12-18(19)22/h4-7,12-13H,3,9-11H2,1-2H3,(H,24,29)/b26-25+
InChIKey UYRHHMBFMQRBGX-OCEACIFDSA-N
Molecular Weight 472.889 g/mol
SMILES N(c1c(\N=N\c2ccc(N(=O)=O)cc2Cl)ccc(N(CCC#N)CCOC(=O)C)c1)C(=O)C
SPLASH splash10-00nu-7900500000-62d9f8eabbad2789cfab
Source of Spectrum IC-1208-0-0
Synonyms 2-[3-(acetylamino)-4-[(E)-(2-chloro-4-nitrophenyl)diazenyl](2-cyanoethyl)anilino]ethyl acetate
Wiley ID 1393250