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1-(4"-Methoxyphenyl)-2-(2'-thienyl)-5-(2"',4"'-dinitrophenylazo)pyrrole
SpectraBase Compound ID CvHbYlvgH6H
InChI InChI=1S/C21H15N5O5S/c1-31-16-7-4-14(5-8-16)24-18(20-3-2-12-32-20)10-11-21(24)23-22-17-9-6-15(25(27)28)13-19(17)26(29)30/h2-13H,1H3/b23-22+
InChIKey NKNDFEDMKNOCLM-GHVJWSGMSA-N
Mol Weight 449.44 g/mol
Molecular Formula C21H15N5O5S
Exact Mass 449.07939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I85jcXpn5z4
Name 1-(4"-Methoxyphenyl)-2-(2'-thienyl)-5-(2"',4"'-dinitrophenylazo)pyrrole
Alternate Name(s) 2-[(E)-(2,4-dinitrophenyl)diazenyl]-1-(4-methoxyphenyl)-5-(2-thienyl)-1H-pyrrole 4-[2-[(E)-(2,4-dinitrophenyl)diazenyl]-5-(2-thienyl)-1H-pyrrol-1-yl]phenyl methyl ether
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15N5O5S
InChI InChI=1S/C21H15N5O5S/c1-31-16-7-4-14(5-8-16)24-18(20-3-2-12-32-20)10-11-21(24)23-22-17-9-6-15(25(27)28)13-19(17)26(29)30/h2-13H,1H3/b23-22+
InChIKey NKNDFEDMKNOCLM-GHVJWSGMSA-N
Molecular Weight 449.441 g/mol
SMILES c1([n](c(cc1)\N=N\c1c(N(=O)=O)cc(N(=O)=O)cc1)-c1ccc(cc1)OC)-c1sccc1
SPLASH splash10-0fdk-0220900000-3dd145083b3c285d6af3
Source of Spectrum KC-61-8255-3
Wiley ID 1630257