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Isopropyl 3-(4-[(E)-(2,4-dinitrophenyl)diazenyl]phenyl)propanoate
SpectraBase Compound ID DAxguScyLlD
InChI InChI=1S/C18H18N4O6/c1-12(2)28-18(23)10-5-13-3-6-14(7-4-13)19-20-16-9-8-15(21(24)25)11-17(16)22(26)27/h3-4,6-9,11-12H,5,10H2,1-2H3/b20-19+
InChIKey JRNMWCQNLLKQDY-FMQUCBEESA-N
Mol Weight 386.36 g/mol
Molecular Formula C18H18N4O6
Exact Mass 386.122634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9oWHEXeZiir
Name Isopropyl 3-(4-[(E)-(2,4-dinitrophenyl)diazenyl]phenyl)propanoate
Alternate Name(s) Benzenepropanoic acid, 4-[(2,4-dinitrophenyl)azo]-, 1-methylethyl ester
CAS Registry Number 77573-32-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N4O6
InChI InChI=1S/C18H18N4O6/c1-12(2)28-18(23)10-5-13-3-6-14(7-4-13)19-20-16-9-8-15(21(24)25)11-17(16)22(26)27/h3-4,6-9,11-12H,5,10H2,1-2H3/b20-19+
InChIKey JRNMWCQNLLKQDY-FMQUCBEESA-N
Molecular Weight 386.364 g/mol
SMILES CC(C)OC(=O)CCc1ccc(cc1)\N=N\c1c(cc(cc1)N(=O)=O)N(=O)=O
SPLASH splash10-004l-9511000000-224a0504a35990f93fbf
Source of Spectrum W5-0-0-0
Wiley ID 1362464