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4-[N,N-bis-(.beta.-acetoxyethyl)amino]-3-methoxy-6-N'-acetylamino-2'-bromo-4',6'-dinitroazobenzene
SpectraBase Compound ID J5e1CMil8WR
InChI InChI=1S/C23H25BrN6O10/c1-13(31)25-18-11-20(28(5-7-39-14(2)32)6-8-40-15(3)33)22(38-4)12-19(18)26-27-23-17(24)9-16(29(34)35)10-21(23)30(36)37/h9-12H,5-8H2,1-4H3,(H,25,31)/b27-26+
InChIKey JSRUDOBCTLPTFO-CYYJNZCTSA-N
Mol Weight 625.39 g/mol
Molecular Formula C23H25BrN6O10
Exact Mass 624.081554 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZpcpLUSERq
Name 4-[N,N-bis-(.beta.-acetoxyethyl)amino]-3-methoxy-6-N'-acetylamino-2'-bromo-4',6'-dinitroazobenzene
Alternate Name(s) 2-{5-(acetylamino)[2-(acetyloxy)ethyl]-4-[(E)-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino}ethyl acetate Disperse Blue 79
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25BrN6O10
InChI InChI=1S/C23H25BrN6O10/c1-13(31)25-18-11-20(28(5-7-39-14(2)32)6-8-40-15(3)33)22(38-4)12-19(18)26-27-23-17(24)9-16(29(34)35)10-21(23)30(36)37/h9-12H,5-8H2,1-4H3,(H,25,31)/b27-26+
InChIKey JSRUDOBCTLPTFO-CYYJNZCTSA-N
Molecular Weight 625.389 g/mol
SMILES N(c1cc(c(cc1\N=N\c1c(N(=O)=O)cc(N(=O)=O)cc1Br)OC)N(CCOC(=O)C)CCOC(=O)C)C(=O)C
SPLASH splash10-0a4i-9000000000-db7240923d16174610c9
Source of Spectrum JC-627-179-11
Wiley ID 1411747