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Methyl 2-(acetyloxy)-3-(4-[(E)-(2,4-dinitrophenyl)diazenyl]-3-hydroxyphenyl)propanoate
SpectraBase Compound ID InFtj26u8np
InChI InChI=1S/C18H16N4O9/c1-10(23)31-17(18(25)30-2)8-11-3-5-14(16(24)7-11)20-19-13-6-4-12(21(26)27)9-15(13)22(28)29/h3-7,9,17,24H,8H2,1-2H3/b20-19+
InChIKey BPSNDXWEJYWTMI-FMQUCBEESA-N
Mol Weight 432.35 g/mol
Molecular Formula C18H16N4O9
Exact Mass 432.091728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1bWBELgkBpd
Name Methyl 2-(acetyloxy)-3-(4-[(E)-(2,4-dinitrophenyl)diazenyl]-3-hydroxyphenyl)propanoate
CAS Registry Number 77495-87-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N4O9
InChI InChI=1S/C18H16N4O9/c1-10(23)31-17(18(25)30-2)8-11-3-5-14(16(24)7-11)20-19-13-6-4-12(21(26)27)9-15(13)22(28)29/h3-7,9,17,24H,8H2,1-2H3/b20-19+
InChIKey BPSNDXWEJYWTMI-FMQUCBEESA-N
Molecular Weight 432.345 g/mol
SMILES Oc1cc(CC(C(OC)=O)OC(C)=O)ccc1\N=N\c1c(cc(cc1)N(=O)=O)N(=O)=O
SPLASH splash10-002g-9511000000-039320d73824f88f6609
Source of Spectrum W5-0-0-0
Synonyms Benzenepropanoic acid, .alpha.-(acetyloxy)-4-[(2,4-dinitrophenyl)azo]-3-hydroxy-, methyl ester, (.+-.)- Benzenepropanoic acid, .alpha.-(acetyloxy)-4-[(2,4-dinitrophenyl)azo]-3-hydroxy-, methyl ester, (.+/-.)-
Wiley ID 1382097